Geometry & MOs

Info

ID:	230558
PubChem CID:	87571355
Reduced:	SCl2O3N4C24H32 (1)
Stoich.:	AB2C3D4E24F32 (1)
Weight, g/mol:	450.216809
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	5.02
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3Z)-3-[2-[3-[2-(dimethylamino)ethyl]anilino]-1H-pyrimidin-6-ylidene]imidazo[1,2-a]pyridin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)Cl

DOS

IR

Vibrations