Geometry & MOs

Info

ID:	31090
PubChem CID:	854464
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	7.46
IP(EA), eV:	-9.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(4-phenacylsulfanylphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C([C@H](C(=C(O2)N)C#N)CCC3CCCCC3)C(=O)O1

DOS

IR

Vibrations