Geometry & MOs

Info

ID:	311162
PubChem CID:	126589663
Reduced:	FN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	453.152241
ΔH_f, kcal/mol:	172.13
Dipole, Da:	4.15
IP(EA), eV:	-7.21(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[2-[C-propan-2-yl-N-[(Z)-prop-1-enyl]carbonimidoyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxobutanamide

Drug info:

PubChemData

Smile

CC/1C2CCCC(=C2)C3=C(C4CC(=CC(=O)N4C3)C(C(=O)O)O)NC/C=C1/F

DOS

IR

Vibrations