Geometry & MOs

Info

ID:	79789
PubChem CID:	49830379
Reduced:	OSN5H19C22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	390.12628
ΔH_f, kcal/mol:	48.2
Dipole, Da:	6.42
IP(EA), eV:	-8.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-diaminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)C4=C(CC3)SC5=NC=NC(=C45)N

DOS

IR

Vibrations