Geometry & MOs

Info

ID:	36934
PubChem CID:	8015058
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-190.41
Dipole, Da:	9.16
IP(EA), eV:	-9.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-nitro-2-phenylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C

DOS

IR

Vibrations