Geometry & MOs

Info

ID:	359312
PubChem CID:	127298244
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	388.102768
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	5.15
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations