Geometry & MOs

Info

ID:	172393
PubChem CID:	75503740
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	5.8
IP(EA), eV:	-8.28(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[[4-[1-[(2-cyano-2-methylpropanoyl)amino]ethyl]phenyl]methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1(OCCO1)C2CCCN(C2)C(=O)NC3=CSC=C3

DOS

IR

Vibrations