Geometry & MOs

Info

ID:	195585
PubChem CID:	78704851
Reduced:	ON2F3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	380.073271
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	5.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.974841
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-cyanoanilino)-1-oxopropan-2-yl]-[1-(2,4-dichloro-5-fluorophenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)[NH2+]C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations