Geometry & MOs

Info

ID:	243266
PubChem CID:	99218065
Reduced:	BrSF2N2O2H13C15 (1)
Stoich.:	ABC2D2E2F13G15 (1)
Weight, g/mol:	426.07545
ΔH_f, kcal/mol:	-102.39
Dipole, Da:	6.47
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)N(C)C1=C(C=CC=C1F)F)C(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations