Geometry & MOs

Info

ID:	120399
PubChem CID:	50725601
Reduced:	ClSO4N7C29H42 (1)
Stoich.:	ABC4D7E29F42 (1)
Weight, g/mol:	490.153846
ΔH_f, kcal/mol:	-166.29
Dipole, Da:	3.02
IP(EA), eV:	-9.36(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations