Geometry & MOs

Info

ID:	10194
PubChem CID:	98762
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	7.96
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations