Geometry & MOs

Info

ID:	31821
PubChem CID:	3719664
Reduced:	F3O3N5C23H30 (1)
Stoich.:	A3B3C5D23E30 (1)
Weight, g/mol:	534.24131
ΔH_f, kcal/mol:	-266.65
Dipole, Da:	7.56
IP(EA), eV:	-9.49(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC(C)(C(F)(F)F)O

DOS

IR

Vibrations