Geometry & MOs

Info

ID:	214654
PubChem CID:	85083355
Reduced:	SN4O7C28H32 (1)
Stoich.:	AB4C7D28E32 (1)
Weight, g/mol:	442.295734
ΔH_f, kcal/mol:	-181.11
Dipole, Da:	4.58
IP(EA), eV:	-9.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

triethyl-[(3-methoxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxycarbonyloxymethyl]azanium

Drug info:

PubChemData

Smile

CCC(C(=O)C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)C(C4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations