Geometry & MOs

Info

ID:	142642
PubChem CID:	53070846
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	442.136257
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	3.59
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCC(CC2)(C)C(=O)NCC3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations