Geometry & MOs

Info

ID:	441344
PubChem CID:	135234236
Reduced:	FOS2N8C26H31 (1)
Stoich.:	ABC2D8E26F31 (1)
Weight, g/mol:	366.12628
ΔH_f, kcal/mol:	52.11
Dipole, Da:	2.91
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-6-thiophen-2-ylpyridin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NN=C(S1)[C@H]2CCC[C@@H](C2)C3=NN=C(S3)NC(=C)CC4=NC(=CC=C4)N5CC(C5)(CC=C)F

DOS

IR

Vibrations