Geometry & MOs

Info

ID:	79785
PubChem CID:	49830358
Reduced:	OSN6H22C25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	458.132509
ΔH_f, kcal/mol:	85.55
Dipole, Da:	5.14
IP(EA), eV:	-8.03(-0.49)
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-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)C)N

DOS

IR

Vibrations