Geometry & MOs

Info

ID:	231414
PubChem CID:	87573646
Reduced:	SN3O4F5H18C25 (1)
Stoich.:	AB3C4D5E18F25 (1)
Weight, g/mol:	507.053481
ΔH_f, kcal/mol:	-254.18
Dipole, Da:	4.71
IP(EA), eV:	-9.55(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-chloro-4-(3-cyanoiminomorpholin-4-yl)phenyl]-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)/C=C\C2=C(N=C(C=C2)C(F)(F)F)OC3=CC=C(C=C3)F)C#C

DOS

IR

Vibrations