Geometry & MOs

Info

ID:

383304

PubChem CID:

134974947

Reduced:

SN2O5C17H18 (1)

Stoich.:

AB2C5D17E18 (1)

Weight, g/mol:

458.250235

ΔHf, kcal/mol:

-186.28

Dipole, Da:

5.87

IP(EA), eV:

 -9.64(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-azidoethyl)-14-methyl-14-(prop-2-ynoxymethyl)-12,16-dioxa-1,4,7,8,9,19,20-heptazatricyclo[16.2.1.17,10]docosa-8,10(22),18(21),19-tetraene

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CSC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations