Geometry & MOs

Info

ID:	130102
PubChem CID:	51074930
Reduced:	ClFSN2O3C13H16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	3.76
IP(EA), eV:	-9.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazepan-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations