Geometry & MOs

Info

ID:	272998
PubChem CID:	103770042
Reduced:	BrNO2F4H8C10 (1)
Stoich.:	ABC2D4E8F10 (1)
Weight, g/mol:	285.095869
ΔH_f, kcal/mol:	-258.13
Dipole, Da:	4.86
IP(EA), eV:	-10.41(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-(3,3-difluoro-2-hydroxypropyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C(=O)NCC(C(F)F)O)F)Br

DOS

IR

Vibrations