Geometry & MOs

Info

ID:

443212

PubChem CID:

135258118

Reduced:

ClO2N5C23H28 (1)

Stoich.:

AB2C5D23E28 (1)

Weight, g/mol:

638.331564

ΔHf, kcal/mol:

-18.25

Dipole, Da:

6.25

IP(EA), eV:

 -8.94(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-aminopropanoylamino)-3-[1-[3-[2-[(8S,10R,11S,13S,16R,17S)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3-oxopropyl]imidazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C=C(\C=C(\C1=NC=C(C(=C1)NC2=C(C=NC=C2)C(=O)NCC(C)O)C(C)C)/N=C)/Cl

DOS

IR

Vibrations