Geometry & MOs

Info

ID:	105162
PubChem CID:	50106521
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	536.274718
ΔH_f, kcal/mol:	-164.96
Dipole, Da:	8.86
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[2-methyl-3-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations