Geometry & MOs

Info

ID:	425886
PubChem CID:	135129265
Reduced:	SN8C18H20 (1)
Stoich.:	AB8C18D20 (1)
Weight, g/mol:	441.104165
ΔH_f, kcal/mol:	144.71
Dipole, Da:	10.22
IP(EA), eV:	-8.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-2-[[4-(thiomorpholine-4-carbonyl)thiophen-2-yl]amino]-1H-pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)NC4CCC4)N(C=C3)C5=CN(N=C5)C

DOS

IR

Vibrations