Geometry & MOs

Info

ID:	162138
PubChem CID:	57393743
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	439.145344
ΔH_f, kcal/mol:	-181.91
Dipole, Da:	11.42
IP(EA), eV:	-9.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[4-(4-phenylmethoxyphenyl)phenyl]sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C)C(=O)C

DOS

IR

Vibrations