Geometry & MOs

Info

ID:	445200
PubChem CID:	135264890
Reduced:	ClSF2N3O4H24C25 (1)
Stoich.:	ABC2D3E4F24G25 (1)
Weight, g/mol:	580.08621
ΔH_f, kcal/mol:	-211.43
Dipole, Da:	6.36
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(=O)N[C@@H](CCC2=CC(=CC(=C2)F)F)C(=O)N(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations