Geometry & MOs

Info

ID:	178561
PubChem CID:	76349214
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	366.103814
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	5.32
IP(EA), eV:	-8.85(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)CCCC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations