Geometry & MOs

Info

ID:	142015
PubChem CID:	52968602
Reduced:	S2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-151.29
Dipole, Da:	6.48
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CN1C2CCC(CC2SC1=NC(=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)N

DOS

IR

Vibrations