Geometry & MOs

Info

ID:

418849

PubChem CID:

135106954

Reduced:

SN2O5C14H20 (1)

Stoich.:

AB2C5D14E20 (1)

Weight, g/mol:

667.311832

ΔHf, kcal/mol:

-185.25

Dipole, Da:

8.19

IP(EA), eV:

 -9.41(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-22-methoxy-5-(1-methylindazole-3-carbonyl)-13-(2-pyridin-3-ylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)N(C)[C@H]2COC[C@@H]2O

DOS

IR

Vibrations