Geometry & MOs

Info

ID:	142006
PubChem CID:	52968319
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-136.59
Dipole, Da:	2.7
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(4-methoxybenzoyl)imino-6-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)SC(=NC(=O)C3=CC(=CC=C3)OC)N2CC(=O)OC

DOS

IR

Vibrations