Geometry & MOs

Info

ID:	172829
PubChem CID:	75558960
Reduced:	ClOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	375.0041
ΔH_f, kcal/mol:	36.91
Dipole, Da:	4.74
IP(EA), eV:	-8.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromoanilino)-5-[(1,5-dimethylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C=C2C(=O)N=C(S2)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations