Geometry & MOs

Info

ID:	121195
PubChem CID:	50758330
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-130.07
Dipole, Da:	7.26
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CC2(C)C(=O)NC4CCCC4)C(=O)OC

DOS

IR

Vibrations