Geometry & MOs

Info

ID:	186296
PubChem CID:	77416120
Reduced:	SN2O9C26H32 (1)
Stoich.:	AB2C9D26E32 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-352.05
Dipole, Da:	6.22
IP(EA), eV:	-9.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-ethyl-2-methyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthrene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=C(N2C(C(C2=O)(C(=O)O)NC(=O)CC3=CCC=CC3)SC1C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations