Geometry & MOs

Info

ID:	46432
PubChem CID:	10524393
Reduced:	NO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-68.96
Dipole, Da:	5.41
IP(EA), eV:	-8.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@]1(C[C@H]2[C@H]3CC4=C5[C@@]2(CCN3C)[C@](C1=O)(OC5=C(C=C4)O)C)C6=CC=CC=C6

DOS

IR

Vibrations