Geometry & MOs

Info

ID:	308020
PubChem CID:	125311846
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	4.09
IP(EA), eV:	-10.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,5-dimethyl-N-[2-(1-methyl-2,2-dioxo-2lambda6,1,3-benzothiadiazol-3-yl)ethyl]-3H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)O)C(=O)NC(=O)C

DOS

IR

Vibrations