Geometry & MOs

Info

ID:	229409
PubChem CID:	87567572
Reduced:	ClFSN3O3C22H25 (1)
Stoich.:	ABCD3E3F22G25 (1)
Weight, g/mol:	429.152241
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	2.69
IP(EA), eV:	-9.05(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]imidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN(C=N4)CC(=O)O)/C3)S.Cl

DOS

IR

Vibrations