Geometry & MOs

Info

ID:	143381
PubChem CID:	53199535
Reduced:	FSO4N5H20C21 (1)
Stoich.:	ABC4D5E20F21 (1)
Weight, g/mol:	425.16856
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	4.65
IP(EA), eV:	-9.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(5-fluoropyridin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)N3C4=C(C(=O)N(C3=N2)CC5CCCO5)SC=C4)F

DOS

IR

Vibrations