Geometry & MOs

Info

ID:	59795
PubChem CID:	24897503
Reduced:	ClO2S2F3N3H19C21 (1)
Stoich.:	AB2C2D3E3F19G21 (1)
Weight, g/mol:	429.144175
ΔH_f, kcal/mol:	-186.64
Dipole, Da:	5.77
IP(EA), eV:	-8.9(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(4-chlorophenyl)-5-(4-fluorophenyl)imidazol-2-yl]sulfanylbutyl]cyclobutanamine

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)/C=C/C2=CSC(=C2)/C=C/3\C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F.Cl

DOS

IR

Vibrations