Geometry & MOs

Info

ID:	223978
PubChem CID:	85336534
Reduced:	FS2O3N4C17H23 (1)
Stoich.:	AB2C3D4E17F23 (1)
Weight, g/mol:	414.151433
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	5.44
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(2-pyridin-2-ylethenyl)thiophene-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CCC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=N)(=O)CN3)F

DOS

IR

Vibrations