Geometry & MOs

Info

ID:	173965
PubChem CID:	75706073
Reduced:	N3O4C29H33 (1)
Stoich.:	A3B4C29D33 (1)
Weight, g/mol:	517.294057
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	3.88
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[furan-2-ylmethyl-[1-(2-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)CNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations