Geometry & MOs

Info

ID:	146374
PubChem CID:	53677398
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	621.236953
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	3.31
IP(EA), eV:	-8.58(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonylpiperazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)OCC1(CCN(CC1)C)C2=CC=CC=C2

DOS

IR

Vibrations