Geometry & MOs

Info

ID:	188604
PubChem CID:	77740737
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	377.129694
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	3.86
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-2-(1-phenylethylsulfonylamino)propanoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)O)C2=CC3=C(C=C2)C=CS3

DOS

IR

Vibrations