Geometry & MOs

Info

ID:

310529

PubChem CID:

126581606

Reduced:

S2N4O5C25H28 (1)

Stoich.:

A2B4C5D25E28 (1)

Weight, g/mol:

365.210327

ΔHf, kcal/mol:

-166.39

Dipole, Da:

6.82

IP(EA), eV:

 -8.56(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,9R,10S)-17-(cyclopropylmethyl)-4-methoxy-13-oxo-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(=O)C3=C(SC(=C3C)C(=O)N(C)C)N4C=CC=C4

DOS

IR

Vibrations