Geometry & MOs

Info

ID:	177457
PubChem CID:	76187288
Reduced:	N2S2O5H32C39 (1)
Stoich.:	A2B2C5D32E39 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-75.45
Dipole, Da:	10.45
IP(EA), eV:	-8.95(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-(4-methoxyphenyl)but-3-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C(=O)C2=CC=C(C=C2)C)SC(=C3C(=O)NC(=O)NC3=O)SC(=CC4=CC=C(C=C4)C)C(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations