Geometry & MOs

Info

ID:	35902
PubChem CID:	7980470
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	399.08735
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	4.32
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations