Geometry & MOs

Info

ID:	225947
PubChem CID:	87246468
Reduced:	ClSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	592.15809
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	4.22
IP(EA), eV:	-9.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonylamino]-3-oxopropyl]-3-phenyl-2-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)S(=O)(=O)NCCCC)C=O)Cl

DOS

IR

Vibrations