Geometry & MOs

Info

ID:	425220
PubChem CID:	135125563
Reduced:	SN3O3C9H13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	501.99737
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	8.42
IP(EA), eV:	-9.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aS,5S,7aS)-7a-(5-bromo-2-fluorophenyl)-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN1COCC2=CN=C(N=C21)S(=O)(=O)C

DOS

IR

Vibrations