Geometry & MOs

Info

ID:	107254
PubChem CID:	50196312
Reduced:	ClO4N5C31H40 (1)
Stoich.:	AB4C5D31E40 (1)
Weight, g/mol:	611.21072
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	4.67
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-bromoanilino)-2-oxoethyl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)Cl

DOS

IR

Vibrations