Geometry & MOs

Info

ID:	348897
PubChem CID:	127274622
Reduced:	NSO2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	-135.18
Dipole, Da:	7.01
IP(EA), eV:	-9.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2CC2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations