Geometry & MOs

Info

ID:	39143
PubChem CID:	8139786
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	313.171617
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	1.19
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)N(C)C

DOS

IR

Vibrations