Geometry & MOs

Info

ID:	196388
PubChem CID:	78818691
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	414.274324
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	3.67
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)CCC(=O)NC2=C(C=CS2)C#N

DOS

IR

Vibrations