Geometry & MOs

Info

ID:

417888

PubChem CID:

135103016

Reduced:

SN3O5C14H21 (1)

Stoich.:

AB3C5D14E21 (1)

Weight, g/mol:

653.25173

ΔHf, kcal/mol:

-189.82

Dipole, Da:

2.23

IP(EA), eV:

 -9.59(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-(1-methylindole-2-carbonyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations