Geometry & MOs

Info

ID:	407205
PubChem CID:	135079561
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	4.86
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(Z)-3-anilinobut-2-enethioyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NC(=S)/C=C(/C)\NC1=CC=CC=C1

DOS

IR

Vibrations