Geometry & MOs

Info

ID:	313866
PubChem CID:	126618243
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	489.19738
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	2.71
IP(EA), eV:	-9.07(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-tritylsulfanylpent-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CC2=C(N=C1)N(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations