Geometry & MOs

Info

ID:	95294
PubChem CID:	50007915
Reduced:	N5O5C30H39 (1)
Stoich.:	A5B5C30D39 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-192.95
Dipole, Da:	5.63
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)-6-methylphenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC

DOS

IR

Vibrations