Geometry & MOs

Info

ID:

309392

PubChem CID:

126545953

Reduced:

N4O5C32H42 (1)

Stoich.:

A4B5C32D42 (1)

Weight, g/mol:

596.23141

ΔHf, kcal/mol:

-170.87

Dipole, Da:

3.03

IP(EA), eV:

 -8.65(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (7R)-15-[[1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-8-oxo-2,5,9-triazatricyclo[14.3.1.02,7]icosa-1(19),16(20),17-triene-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN([C@H](C1)C(=O)NCCC=C)C2=CC=CC(=C2)C(CC=C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations