Geometry & MOs

Info

ID:

419315

PubChem CID:

135107969

Reduced:

O7N8C45H54 (1)

Stoich.:

A7B8C45D54 (1)

Weight, g/mol:

483.219178

ΔHf, kcal/mol:

-219.14

Dipole, Da:

8.5

IP(EA), eV:

 -8.51(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(thiophene-3-carbonyl)-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)C#N)C(C)C

DOS

IR

Vibrations