Geometry & MOs

Info

ID:	151684
PubChem CID:	56261117
Reduced:	SN3O3H23C25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	489.98679
ΔH_f, kcal/mol:	29.21
Dipole, Da:	3.52
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[bis(methylsulfonyl)amino]-3-bromophenyl]-2-phenylmethoxyacetamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)NCCC3=CC=C(C=C3)OCC#C

DOS

IR

Vibrations