Geometry & MOs

Info

ID:	142010
PubChem CID:	52968389
Reduced:	BrSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	420.135508
ΔH_f, kcal/mol:	-184.25
Dipole, Da:	4.31
IP(EA), eV:	-8.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methoxybenzoyl)imino-3-(2-methoxy-2-oxoethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CN1C2CCC(CC2SC1=NC(=O)C3=CC=CC=C3Br)C(=O)OC

DOS

IR

Vibrations