Geometry & MOs

Info

ID:

422609

PubChem CID:

135118131

Reduced:

N5O7C36H51 (1)

Stoich.:

A5B7C36D51 (1)

Weight, g/mol:

568.207033

ΔHf, kcal/mol:

-290.29

Dipole, Da:

4.6

IP(EA), eV:

 -8.74(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[3-(1,2,4-triazol-4-yl)benzoyl]-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)CCOCC)C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations