Geometry & MOs

Info

ID:	33595
PubChem CID:	7887115
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	352.062613
ΔH_f, kcal/mol:	5.12
Dipole, Da:	5.31
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-nitrophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)SC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations