Geometry & MOs

Info

ID:	46445
PubChem CID:	10524435
Reduced:	N2S2O5H14C17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	6.08
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[2-(methanesulfonamido)benzoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)/N=C/2\N(C=CS2)C3=CC(=CC=C3)OCC(=O)O

DOS

IR

Vibrations