Geometry & MOs

Info

ID:	353684
PubChem CID:	127285261
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-153.48
Dipole, Da:	5.54
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations