Geometry & MOs

Info

ID:	168309
PubChem CID:	74950857
Reduced:	NO13C54H103 (1)
Stoich.:	AB13C54D103 (1)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	-757.93
Dipole, Da:	2.55
IP(EA), eV:	-9.79(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[1-(3,4-dimethylphenyl)-2-oxoindol-3-ylidene]ethylamino]carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(OC1O)COC2C(C(C(C(O2)CO)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations