Geometry & MOs

Info

ID:	139129
PubChem CID:	52477839
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	434.147786
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	4.73
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)SC1=NN=C(N1CCC(C)C)COC2=CC=CC=C2

DOS

IR

Vibrations