Geometry & MOs

Info

ID:	191041
PubChem CID:	78099349
Reduced:	OSN3C42H55 (1)
Stoich.:	ABC3D42E55 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	3.59
IP(EA), eV:	-8.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(6-ethenyl-5-hydroxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl)pentanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=S)NC(C4CC5CCC4CC5C=C)C6=C7C=C(C=CC7=NC=C6)OC)C

DOS

IR

Vibrations