Geometry & MOs

Info

ID:	158405
PubChem CID:	56463578
Reduced:	OS2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	431.199111
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	2.8
IP(EA), eV:	-8.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CCCCC3CCSS3

DOS

IR

Vibrations