Geometry & MOs

Info

ID:	149664
PubChem CID:	53789338
Reduced:	O5N6C41H48 (1)
Stoich.:	A5B6C41D48 (1)
Weight, g/mol:	242.036128
ΔH_f, kcal/mol:	-67.6
Dipole, Da:	2.5
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl) (2R)-2-amino-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCN(C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)CCN4CCC(CC4)NC5=NC6=CC=CC=C6N5CC7=CC=NC=C7

DOS

IR

Vibrations