Geometry & MOs

Info

ID:	161663
PubChem CID:	57392279
Reduced:	ClNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	2.69
IP(EA), eV:	-9.35(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[8-(4-methylpiperazin-1-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)C(=C3N2C=C(C=C3)Cl)C(=O)C)C

DOS

IR

Vibrations