Geometry & MOs

Info

ID:	135205
PubChem CID:	51834346
Reduced:	ClN3O4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	312.277678
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	4.85
IP(EA), eV:	-9.78(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-[tert-butyl(propanoyl)amino]-3-ethylpentanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=C(C=CC(=C1)[N+](=O)[O-])Cl)N(C(=O)CC)C(C)(C)C

DOS

IR

Vibrations