Geometry & MOs

Info

ID:	91384
PubChem CID:	49975600
Reduced:	ClN5O5C30H38 (1)
Stoich.:	AB5C5D30E38 (1)
Weight, g/mol:	613.18998
ΔH_f, kcal/mol:	-205.88
Dipole, Da:	9.53
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-bromoanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations