Geometry & MOs

Info

ID:	171012
PubChem CID:	75311742
Reduced:	PN8O11C35H55 (1)
Stoich.:	AB8C11D35E55 (1)
Weight, g/mol:	378.127623
ΔH_f, kcal/mol:	-569.09
Dipole, Da:	2.9
IP(EA), eV:	-9.22(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)NC(C(C)OP(=O)(O)O)C(=O)N)NC(=O)CN(CCCCCCC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations