Geometry & MOs

Info

ID:

32077

PubChem CID:

4265962

Reduced:

SN2H12C15 (1)

Stoich.:

AB2C12D15 (1)

Weight, g/mol:

979.352753

ΔHf, kcal/mol:

75.11

Dipole, Da:

4.57

IP(EA), eV:

 -8.52(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 2-[3-[6-[2-(2-hydroxyethoxy)phenyl]-8-[(2-hydroxy-2-phenylethyl)carbamoyl]-1'-(2-methoxyethoxycarbonyl)-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CNC3=CC=CC=C32)C(=S)N

DOS

IR

Vibrations