Geometry & MOs

Info

ID:	93032
PubChem CID:	49991063
Reduced:	O4N5C33H45 (1)
Stoich.:	A4B5C33D45 (1)
Weight, g/mol:	575.347155
ΔH_f, kcal/mol:	-180.13
Dipole, Da:	8.93
IP(EA), eV:	-8.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC(C)C

DOS

IR

Vibrations