Geometry & MOs

Info

ID:

176271

PubChem CID:

76021511

Reduced:

N4O5C34H34 (1)

Stoich.:

A4B5C34D34 (1)

Weight, g/mol:

726.148897

ΔHf, kcal/mol:

82.96

Dipole, Da:

9.06

IP(EA), eV:

 -8.51(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[14-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-10,10-difluoro-11-oxo-8,12,16,18-tetrazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C6(C3(C)O)CCC(=O)O6)C=C

DOS

IR

Vibrations