Geometry & MOs

Info

ID:

116323

PubChem CID:

50556491

Reduced:

BrClO4N5C33H43 (1)

Stoich.:

ABC4D5E33F43 (1)

Weight, g/mol:

730.324561

ΔHf, kcal/mol:

-182.4

Dipole, Da:

8.48

IP(EA), eV:

 -9.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2-methoxybenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

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=C4C)Br)C)Cl

DOS

IR

Vibrations