Geometry & MOs

Info

ID:	20790
PubChem CID:	585694
Reduced:	OSN2H28C30 (1)
Stoich.:	ABC2D28E30 (1)
Weight, g/mol:	464.192235
ΔH_f, kcal/mol:	27.89
Dipole, Da:	4.45
IP(EA), eV:	-8.17(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(S4)N=C(C=C5C6=CC=CC=C6)C7=CC=CC=C7)N

DOS

IR

Vibrations