Geometry & MOs

Info

ID:	322539
PubChem CID:	126670433
Reduced:	FO2N7C27H30 (1)
Stoich.:	AB2C7D27E30 (1)
Weight, g/mol:	505.225994
ΔH_f, kcal/mol:	9.18
Dipole, Da:	4.48
IP(EA), eV:	-8.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C=CC4=C3C=C(C=C4)F)OC

DOS

IR

Vibrations