Geometry & MOs

Info

ID:	343238
PubChem CID:	127266411
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-169.97
Dipole, Da:	2.73
IP(EA), eV:	-9.48(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-oxopyrimidin-1-yl)ethyl]-2-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N[C@H]3CCOC3=O)C

DOS

IR

Vibrations