Geometry & MOs

Info

ID:

219577

PubChem CID:

85149296

Reduced:

SN4O8C27H42 (1)

Stoich.:

AB4C8D27E42 (1)

Weight, g/mol:

583.21586

ΔHf, kcal/mol:

-372.59

Dipole, Da:

5.72

IP(EA), eV:

 -8.91(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

triethyl-[(3-methoxy-8,14-dimethyl-7,12,13,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)oxycarbonyloxymethyl]azanium;iodide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(C(=O)NC(CO)C(=O)OC)NC(=O)CNC(=O)C(C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations