Geometry & MOs

Info

ID:	43027
PubChem CID:	10317838
Reduced:	Cl2O2N3H11C19 (1)
Stoich.:	A2B2C3D11E19 (1)
Weight, g/mol:	384.266445
ΔH_f, kcal/mol:	13.26
Dipole, Da:	4.31
IP(EA), eV:	-9.01(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1E,3E)-6-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-4-(hydroxymethyl)hexa-1,3-dienyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC3=CC(=C(C=C3)Cl)Cl)C(=O)N2C4=CNC(=O)C=C4

DOS

IR

Vibrations