Geometry & MOs

Info

ID:	233902
PubChem CID:	92192328
Reduced:	ClSN2O7C22H27 (1)
Stoich.:	ABC2D7E22F27 (1)
Weight, g/mol:	502.073213
ΔH_f, kcal/mol:	-192.35
Dipole, Da:	9.15
IP(EA), eV:	-9.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[(4-chloro-3-nitrophenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C(C)C)N(CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations