Geometry & MOs

Info

ID:

423097

PubChem CID:

135118940

Reduced:

O2N3C18H21 (1)

Stoich.:

A2B3C18D21 (1)

Weight, g/mol:

539.157161

ΔHf, kcal/mol:

-41.99

Dipole, Da:

5.45

IP(EA), eV:

 -9.63(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(4-chloro-2-methylpyrazole-3-carbonyl)-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=CC(=CC(=N1)C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations