Geometry & MOs

Info

ID:	328386
PubChem CID:	126705742
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	505.26238
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	2.72
IP(EA), eV:	-9.74(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(4-tert-butylpiperazin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(CC(C)(C)C)OCC(C)OC(=O)C

DOS

IR

Vibrations