Geometry & MOs

Info

ID:	361475
PubChem CID:	127303600
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	3.21
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)NCC(=O)N3CCCC3C(=O)NC)C

DOS

IR

Vibrations