Geometry & MOs

Info

ID:	46617
PubChem CID:	10525635
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	410.256943
ΔH_f, kcal/mol:	18.78
Dipole, Da:	6.99
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(1-adamantylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CS(=O)C1=CC=CC(=C1)C2=C(N(C=N2)CCCN3CCOCC3)C4=CC=NC=C4

DOS

IR

Vibrations