Geometry & MOs

Info

ID:	116322
PubChem CID:	50556490
Reduced:	BrClO4N5C32H41 (1)
Stoich.:	ABC4D5E32F41 (1)
Weight, g/mol:	687.2187
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	8.83
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromo-2,6-dimethylanilino)-3-oxopropyl]-1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Br)C)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Br)C)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):