Geometry & MOs

Info

ID:	355733
PubChem CID:	127289806
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	7.08
IP(EA), eV:	-9.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations