Geometry & MOs

Info

ID:	105231
PubChem CID:	50106693
Reduced:	SO4N5C26H33 (1)
Stoich.:	AB4C5D26E33 (1)
Weight, g/mol:	598.290368
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	3.92
IP(EA), eV:	-8.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations