Geometry & MOs

Info

ID:	93984
PubChem CID:	49997923
Reduced:	O4N5C30H41 (1)
Stoich.:	A4B5C30D41 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-173.39
Dipole, Da:	6.75
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-chloro-4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations