Geometry & MOs

Info

ID:	142005
PubChem CID:	52967842
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	6.26
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCC2C(C1)SC(=NC(=O)COC3=CC=CC=C3)N2CC=C

DOS

IR

Vibrations