Geometry & MOs

Info

ID:	214509
PubChem CID:	85083137
Reduced:	O4N7C29H33 (1)
Stoich.:	A4B7C29D33 (1)
Weight, g/mol:	543.194026
ΔH_f, kcal/mol:	47.24
Dipole, Da:	3.35
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-indol-1-ylsulfonyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)C=CCOC3CCCC#CC=CC#C3

DOS

IR

Vibrations