Geometry & MOs

Info

ID:

311688

PubChem CID:

126596874

Reduced:

O4N5C30H37 (1)

Stoich.:

A4B5C30D37 (1)

Weight, g/mol:

395.220892

ΔHf, kcal/mol:

-132.22

Dipole, Da:

3.98

IP(EA), eV:

 -8.78(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[(10R,14S)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4CCC(=CC4=O)C5CCCCN5C

DOS

IR

Vibrations