Geometry & MOs

Info

ID:	348898
PubChem CID:	127274623
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	27.91
Dipole, Da:	7.18
IP(EA), eV:	-9.28(-0.65)
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]-1H-imidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4

DOS

IR

Vibrations