Geometry & MOs

Info

ID:	177502
PubChem CID:	76194258
Reduced:	O2S2N8C31H48 (1)
Stoich.:	A2B2C8D31E48 (1)
Weight, g/mol:	391.07391
ΔH_f, kcal/mol:	30.75
Dipole, Da:	6.26
IP(EA), eV:	-7.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1CC(=O)N2CCCCCSC3=NC(=CC(=N3)NCCCCCCNC4=NC(=NC(=C4)C)SCCCCCN1C2=O)C

DOS

IR

Vibrations