Geometry & MOs

Info

ID:	214200
PubChem CID:	84974601
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	312.14788
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	3.95
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(C)C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

DOS

IR

Vibrations