Geometry & MOs

Info

ID:	193315
PubChem CID:	78374983
Reduced:	SN3O3C26H31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	374.146427
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	4.29
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3C(NC(NC3=O)SCC4=CC=CC=C4)NC(=C2C(=O)OC(C)C)C

DOS

IR

Vibrations