Geometry & MOs

Info

ID:	172005
PubChem CID:	75453104
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	11.7
IP(EA), eV:	-9.62(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2C=CN=N2)S(=O)(=O)C3=CC4=C(CCNC4=O)C=C3

DOS

IR

Vibrations