Geometry & MOs

Info

ID:	45862
PubChem CID:	10518319
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-172.69
Dipole, Da:	3.95
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)COC(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations