Geometry & MOs

Info

ID:	343415
PubChem CID:	127266588
Reduced:	ClFNSO2C14H17 (1)
Stoich.:	ABCDE2F14G17 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	7.9
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(1H-1,2,4-triazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(CS(=O)C)C(=O)N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations