Geometry & MOs

Info

ID:	379037
PubChem CID:	134352124
Reduced:	SN2O2C27H28 (1)
Stoich.:	AB2C2D27E28 (1)
Weight, g/mol:	443.200905
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	1.8
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-7-hydroxy-5-methyl-3,4-dihydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)C[C@@H](C(=O)N[C@@H]2CCSC3=C2C=C(C=C3)CC4=CC=CC=C4)N=C

DOS

IR

Vibrations