Geometry & MOs

Info

ID:	131366
PubChem CID:	51197411
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	7.42
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(4-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NC(=O)CCCNC(=O)C1=CC=CS1

DOS

IR

Vibrations