Geometry & MOs

Info

ID:	61182
PubChem CID:	26706794
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	386.104876
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	2.55
IP(EA), eV:	-8.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioxo-N-[2-(prop-2-enylcarbamoyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)NCC=C

DOS

IR

Vibrations