Geometry & MOs

Info

ID:	68370
PubChem CID:	46508275
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	411.118753
ΔH_f, kcal/mol:	13.58
Dipole, Da:	4.38
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)/C=C/C4=CC=CO4

DOS

IR

Vibrations