Geometry & MOs

Info

ID:

418817

PubChem CID:

135106868

Reduced:

NO4C22H27 (1)

Stoich.:

AB4C22D27 (1)

Weight, g/mol:

587.263151

ΔHf, kcal/mol:

-141.27

Dipole, Da:

3.25

IP(EA), eV:

 -8.71(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[4-(3-hydroxy-3-methylbutyl)benzoyl]-13-methoxy-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=C(C=CC(=C1)OC)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations