Geometry & MOs

Info

ID:

423584

PubChem CID:

135119771

Reduced:

O2N3C21H29 (1)

Stoich.:

A2B3C21D29 (1)

Weight, g/mol:

535.243084

ΔHf, kcal/mol:

-74.86

Dipole, Da:

6.3

IP(EA), eV:

 -8.48(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[[1-(2-methoxyethyl)imidazol-2-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=C(NC2=C1C=C(C=C2)C(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)CO)C

DOS

IR

Vibrations