Geometry & MOs

Info

ID:

334867

PubChem CID:

127253673

Reduced:

N3O7C33H39 (1)

Stoich.:

A3B7C33D39 (1)

Weight, g/mol:

566.264154

ΔHf, kcal/mol:

-206.94

Dipole, Da:

5.41

IP(EA), eV:

 -8.24(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-7-nitro-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCC4=CC=CC=C4OC)OC)OC)OC

DOS

IR

Vibrations