Geometry & MOs

Info

ID:	41634
PubChem CID:	8146644
Reduced:	FSO2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	314.093439
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	5.85
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CO1)NCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

DOS

IR

Vibrations