Geometry & MOs

Info

ID:	170057
PubChem CID:	75190665
Reduced:	ClSN3O4C24H30 (1)
Stoich.:	ABC3D4E24F30 (1)
Weight, g/mol:	448.218449
ΔH_f, kcal/mol:	-177.87
Dipole, Da:	4.06
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2CCC3C(C2)NC(=O)C(=CC4=CC=CC=C4Cl)S3

DOS

IR

Vibrations