Geometry & MOs

Info

ID:	95576
PubChem CID:	50010445
Reduced:	O4N5C34H47 (1)
Stoich.:	A4B5C34D47 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	7.19
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CCCCC4C

DOS

IR

Vibrations