Geometry & MOs

Info

ID:	106335
PubChem CID:	50158117
Reduced:	O5N6C32H44 (1)
Stoich.:	A5B6C32D44 (1)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	-203.05
Dipole, Da:	10.42
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoyl)phenyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)N(C)C)C

DOS

IR

Vibrations