Geometry & MOs

Info

ID:	177846
PubChem CID:	76241114
Reduced:	FSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	459.161663
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	8.12
IP(EA), eV:	-9.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C(=CC2=CSC(=N2)C3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations