Geometry & MOs

Info

ID:	302215
PubChem CID:	124360352
Reduced:	OS2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	453.189986
ΔH_f, kcal/mol:	45.8
Dipole, Da:	5.43
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CSCC[C@H](C1=NN=C(O1)SC/C=C/C2=CC=CC=C2)N

DOS

IR

Vibrations