Geometry & MOs

Info

ID:	229101
PubChem CID:	87566950
Reduced:	FSN4O4C21H25 (1)
Stoich.:	ABC4D4E21F25 (1)
Weight, g/mol:	675.208001
ΔH_f, kcal/mol:	-134.23
Dipole, Da:	1.56
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-[3-formyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]-2-phenylpropanedioate

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1F)N2CCC(/C(=C\C3=CN(N=N3)CCCC(=O)O)/C2)S

DOS

IR

Vibrations