Geometry & MOs

Info

ID:	79784
PubChem CID:	49830355
Reduced:	OF2N5H17C21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	454.157581
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	2.48
IP(EA), eV:	-8.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C(C=CC4=C3C(=NN4)N)F

DOS

IR

Vibrations