Geometry & MOs

Info

ID:

164106

PubChem CID:

74382020

Reduced:

O12N13C42H77 (1)

Stoich.:

A12B13C42D77 (1)

Weight, g/mol:

447.179421

ΔHf, kcal/mol:

-632.81

Dipole, Da:

13.43

IP(EA), eV:

 -9.65(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(tert-butyliminomethyl)-19-ethyl-16,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations