Geometry & MOs

Info

ID:	152880
PubChem CID:	56311961
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	492.19844
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	7.68
IP(EA), eV:	-8.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C2=NN=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations