Geometry & MOs

Info

ID:	182398
PubChem CID:	76884306
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	372.033541
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	6.64
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(1,3-benzothiazol-2-yl)prop-2-enoylamino]-5-chlorobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

DOS

IR

Vibrations