Geometry & MOs

Info

ID:	302188
PubChem CID:	124360325
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-189.52
Dipole, Da:	1.31
IP(EA), eV:	-8.37(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations