Geometry & MOs

Info

ID:	182472
PubChem CID:	76891887
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	288.110791
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	8.27
IP(EA), eV:	-9.08(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C(CCSC)N

DOS

IR

Vibrations