Geometry & MOs

Info

ID:

423486

PubChem CID:

135119583

Reduced:

O6N7C39H47 (1)

Stoich.:

A6B7C39D47 (1)

Weight, g/mol:

547.243084

ΔHf, kcal/mol:

-97.74

Dipole, Da:

5.07

IP(EA), eV:

 -8.74(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(1-ethyl-3,5-dimethylpyrazole-4-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

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=CC4=C(C=C3)N=CN4)C)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations