Geometry & MOs

Info

ID:	216863
PubChem CID:	85086894
Reduced:	ZnN2S2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	308.974168
ΔH_f, kcal/mol:	116.94
Dipole, Da:	0.31
IP(EA), eV:	-8.71(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-amino-1,3-thiazol-4-yl)-4,4-dichloro-2-methoxyiminobut-3-enoate

Drug info:

PubChemData

Smile

C1=CC(=C2NC3=C(S2)N=CC=C3)C(=S)C=C1.[Zn+2]

DOS

IR

Vibrations