Geometry & MOs

Info

ID:	190670
PubChem CID:	78039637
Reduced:	ClSO2N3C29H36 (1)
Stoich.:	ABC2D3E29F36 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	6.0
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(11-hydroxy-6-methoxy-8-oxatetracyclo[7.4.0.01,12.02,7]trideca-2,4,6-trien-3-yl)-2-[methyl(propyl)amino]acetonitrile

Drug info:

PubChemData

Smile

CC(C)C(CNC(C1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3S2)NC(=O)CC4CCN(CC4)C(=O)C

DOS

IR

Vibrations