Geometry & MOs

Info

ID:	177066
PubChem CID:	76132271
Reduced:	SO3C20H32 (1)
Stoich.:	AB3C20D32 (1)
Weight, g/mol:	605.184812
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	3.69
IP(EA), eV:	-8.62(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-2-[3-(3-methoxyphenyl)prop-2-enyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1CCC(CC1)SCC2C3CCC(C2CC=CCCCC(=O)O)O3

DOS

IR

Vibrations