Geometry & MOs

Info

ID:	151724
PubChem CID:	56269952
Reduced:	BrSN2O3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	443.194402
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	3.52
IP(EA), eV:	-9.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dimethoxyphenyl)methyl-[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]acetate

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2CC2C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations