Geometry & MOs

Info

ID:	425831
PubChem CID:	135128213
Reduced:	S2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	472.171517
ΔH_f, kcal/mol:	74.18
Dipole, Da:	5.06
IP(EA), eV:	-8.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-N-[(3R)-pyrrolidin-3-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)NC4CCC(CC4)NC)SC=C3

DOS

IR

Vibrations