Geometry & MOs

Info

ID:

160747

PubChem CID:

57389662

Reduced:

O2N6C23H26 (1)

Stoich.:

A2B6C23D26 (1)

Weight, g/mol:

674.323702

ΔHf, kcal/mol:

55.43

Dipole, Da:

7.16

IP(EA), eV:

 -9.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propan-2-yl (4R)-4-[(3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)C(=NC=N2)N3CCOC4=C(C3)C=C(C=C4)C5=CN(C(=N)N=C5)O)C

DOS

IR

Vibrations