Geometry & MOs

Info

ID:

415429

PubChem CID:

135088423

Reduced:

SN3O4C19H25 (1)

Stoich.:

AB3C4D19E25 (1)

Weight, g/mol:

497.2162

ΔHf, kcal/mol:

-137.13

Dipole, Da:

4.95

IP(EA), eV:

 -9.3(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-(2-methoxy-2-methylpropanoyl)-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations