Geometry & MOs

Info

ID:	376192
PubChem CID:	134222197
Reduced:	ClO3N5C27H28 (1)
Stoich.:	AB3C5D27E28 (1)
Weight, g/mol:	442.101497
ΔH_f, kcal/mol:	-47.94
Dipole, Da:	4.17
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-5-methylphenyl)but-1-enyl]-N-[(6-chloropyridin-3-yl)methyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C)C2=CC(=CC(=C2)Cl)N3C=CC(=NC3=O)N)C(=O)NCC(=O)NC4CC4

DOS

IR

Vibrations