Geometry & MOs

Info

ID:	243868
PubChem CID:	99289501
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	422.097014
ΔH_f, kcal/mol:	-24.31
Dipole, Da:	8.82
IP(EA), eV:	-8.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methylsulfonylmethyl)phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@@H]1CC2=CC=CC=C2OC)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations