Geometry & MOs

Info

ID:	445202
PubChem CID:	135264894
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	558.120704
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	5.8
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzothiazol-5-yl)-4-(3,5-difluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations