Geometry & MOs

Info

ID:	112183
PubChem CID:	50398172
Reduced:	BrO4N5C30H38 (1)
Stoich.:	AB4C5D30E38 (1)
Weight, g/mol:	601.22226
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	4.12
IP(EA), eV:	-8.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(3,4-dichloroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Br)C(=O)NC4CCCC4

DOS

IR

Vibrations