Geometry & MOs

Info

ID:	134761
PubChem CID:	51752900
Reduced:	ClN3O5C26H26 (1)
Stoich.:	AB3C5D26E26 (1)
Weight, g/mol:	525.203049
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	5.97
IP(EA), eV:	-9.62(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-(furan-2-ylmethyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC=C(C=C2)Cl)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations