Geometry & MOs

Info

ID:	80525
PubChem CID:	49834928
Reduced:	ClNOC22H22 (1)
Stoich.:	ABCD22E22 (1)
Weight, g/mol:	387.100125
ΔH_f, kcal/mol:	1.65
Dipole, Da:	1.12
IP(EA), eV:	-8.22(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 2-[2-[[4-(dimethylamino)phenyl]diazenyl]-1,3-thiazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N[C@H](C[C@H](C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3

DOS

IR

Vibrations