Geometry & MOs

Info

ID:	154713
PubChem CID:	56314220
Reduced:	N2F3O3C25H31 (1)
Stoich.:	A2B3C3D25E31 (1)
Weight, g/mol:	445.124232
ΔH_f, kcal/mol:	-255.06
Dipole, Da:	3.72
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=CC=C2CN3CCCCC3)OCC(F)(F)F

DOS

IR

Vibrations