Geometry & MOs

Info

ID:

417637

PubChem CID:

135102347

Reduced:

NSO5C19H29 (1)

Stoich.:

ABC5D19E29 (1)

Weight, g/mol:

509.252586

ΔHf, kcal/mol:

-244.84

Dipole, Da:

7.52

IP(EA), eV:

 -9.57(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[(4-methyloxan-4-yl)methyl]-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=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3(CC2)C[C@]([C@H](CO3)O)(C)O)C

DOS

IR

Vibrations