Geometry & MOs

Info

ID:	170058
PubChem CID:	75190940
Reduced:	SN2O2C27H32 (1)
Stoich.:	AB2C2D27E32 (1)
Weight, g/mol:	478.229014
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	8.44
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-4-[[4-[(2-methylphenyl)methyl]-3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]thiazin-2-ylidene]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C3CCCCC3SC(=CC4=CC=C(C=C4)C(=O)NC(C)C)C2=O

DOS

IR

Vibrations