Geometry & MOs

Info

ID:	221963
PubChem CID:	85292992
Reduced:	SN2O4C21H38 (1)
Stoich.:	AB2C4D21E38 (1)
Weight, g/mol:	415.126717
ΔH_f, kcal/mol:	-218.16
Dipole, Da:	4.91
IP(EA), eV:	-9.35(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4-tetrahydroxy-7-phenylmethoxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)(C)C)N=C1CC2CCC1(C2(C)C)CS(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations