Geometry & MOs

Info

ID:	339199
PubChem CID:	127260578
Reduced:	ClN2O2C20H35 (1)
Stoich.:	AB2C2D20E35 (1)
Weight, g/mol:	702.291431
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	4.02
IP(EA), eV:	-8.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[4-[4-[[1-[(5-carbamoyl-2-methylphenyl)diazenyl]-1,3-dioxobutan-2-yl]amino]-3-methylphenyl]-2-methylanilino]-3-oxobutanoyl]diazenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C(=O)NC(C)CCCN(CC)CC.Cl

DOS

IR

Vibrations