Geometry & MOs

Info

ID:	393907
PubChem CID:	135021938
Reduced:	NSO4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	212.156501
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	4.9
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,10aS)-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthrene

Drug info:

PubChemData

Smile

CC(C)(C)OC[C@@H](C(=O)S)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations