Geometry & MOs

Info

ID:	185394
PubChem CID:	77295219
Reduced:	F3N4O6H25C28 (1)
Stoich.:	A3B4C6D25E28 (1)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	-311.01
Dipole, Da:	4.65
IP(EA), eV:	-8.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[[(6-carbamoyl-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]methylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)CNCC1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)C(=O)N)NC2=O)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations