Geometry & MOs

Info

ID:	135167
PubChem CID:	51828161
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	8.2
IP(EA), eV:	-9.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-tert-butyl-N-[(1R)-2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(C)(C)C)C(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations