Geometry & MOs

Info

ID:	364016
PubChem CID:	127313687
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-25.25
Dipole, Da:	3.33
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)C(=O)CCC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations