Geometry & MOs

Info

ID:	64109
PubChem CID:	29196181
Reduced:	SO2N4H26C29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	17.88
Dipole, Da:	4.88
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)CC5=CC=CC=N5

DOS

IR

Vibrations