Geometry & MOs

Info

ID:	402513
PubChem CID:	135056245
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	12.26
Dipole, Da:	7.1
IP(EA), eV:	-7.94(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-3-methoxy-13-methylspiro[4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]

Drug info:

PubChemData

Smile

CC[C@@H](CO)NC(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C

DOS

IR

Vibrations