Geometry & MOs

Info

ID:	441053
PubChem CID:	135232880
Reduced:	SO2N3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	207.083019
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751737
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E)-1-(propan-2-ylideneamino)buta-1,3-dien-2-yl]-1,3-thiazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCN(CC3)C(=O)OCC[N+](C)(C)C)C

DOS

IR

Vibrations