Geometry & MOs

Info

ID:

417579

PubChem CID:

135102098

Reduced:

O7N9C43H57 (1)

Stoich.:

A7B9C43D57 (1)

Weight, g/mol:

511.315855

ΔHf, kcal/mol:

-230.92

Dipole, Da:

11.01

IP(EA), eV:

 -8.36(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-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)CN5C=CC(=N5)C)C(C)C

DOS

IR

Vibrations