Geometry & MOs

Info

ID:	407043
PubChem CID:	135079207
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	417.13371
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	4.74
IP(EA), eV:	-8.79(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methyl-lambda4-sulfanyl]-N,N-bis(prop-2-enyl)acetamide

Drug info:

PubChemData

Smile

CC(=CCOC1=CC=CC=C1C(C)(C#C)OC(=O)C(C)(C)C)C

DOS

IR

Vibrations