Geometry & MOs

Info

ID:	193186
PubChem CID:	78354432
Reduced:	OSN4C17H26 (1)
Stoich.:	ABC4D17E26 (1)
Weight, g/mol:	434.202799
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	4.97
IP(EA), eV:	-8.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)SC1NC2C(CNN2C3=CC(=C(C=C3)C)C)C(=O)N1

DOS

IR

Vibrations