Geometry & MOs

Info

ID:	188605
PubChem CID:	77740837
Reduced:	NSO5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	377.129694
ΔH_f, kcal/mol:	-164.69
Dipole, Da:	4.2
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[benzylsulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations