Geometry & MOs

Info

ID:	174431
PubChem CID:	75761575
Reduced:	ClN3O4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	422.293328
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	7.62
IP(EA), eV:	-9.63(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-ethyl-2-[N-(2-phenylbutanoyl)anilino]pentanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)N(C2=CC=CC=C2)C(=O)C(CC)C3=CC=CC=C3

DOS

IR

Vibrations