Geometry & MOs

Info

ID:	154079
PubChem CID:	56313466
Reduced:	FN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	499.171182
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	1.81
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F)N3CCOCC3

DOS

IR

Vibrations