Geometry & MOs

Info

ID:	36554
PubChem CID:	8008552
Reduced:	SO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078727
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)[NH+](C)CC(=O)NC3=CC=CC=C3SC

DOS

IR

Vibrations