Geometry & MOs

Info

ID:	135166
PubChem CID:	51827818
Reduced:	SN2O4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-189.54
Dipole, Da:	3.63
IP(EA), eV:	-8.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC(=C(C=C1)O)OC)N(C(=O)CCS)C(C)(C)C

DOS

IR

Vibrations