Geometry & MOs

Info

ID:

435944

PubChem CID:

135192922

Reduced:

N5H29C45 (1)

Stoich.:

A5B29C45 (1)

Weight, g/mol:

333.132471

ΔHf, kcal/mol:

254.86

Dipole, Da:

4.24

IP(EA), eV:

 -8.43(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6R,7R,8R)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2-azatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C7=CC=CC=C7C=C6)C8=CC=CC=C8N9C5=NC1=CC=CC=C19

DOS

IR

Vibrations