Geometry & MOs

Info

ID:

190785

PubChem CID:

78056747

Reduced:

N3O3C24H25 (1)

Stoich.:

A3B3C24D25 (1)

Weight, g/mol:

604.200109

ΔHf, kcal/mol:

-56.91

Dipole, Da:

2.21

IP(EA), eV:

 -8.9(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[14-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CCN(CCC2)C(=O)C=CC3=CC4=C(NC(=O)CC4)N=C3

DOS

IR

Vibrations