Geometry & MOs

Info

ID:	218817
PubChem CID:	85090023
Reduced:	ClON3H24C33 (1)
Stoich.:	ABC3D24E33 (1)
Weight, g/mol:	514.158529
ΔH_f, kcal/mol:	141.89
Dipole, Da:	1.97
IP(EA), eV:	-8.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-2,2-difluoro-N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1C2(C3=C(C=CC(=C3)Cl)N(C(=O)N2)CC4=C5C=CC=CC5=CC6=CC=CC=C64)C#CC7=CC=NC=C7

DOS

IR

Vibrations