Geometry & MOs

Info

ID:	233821
PubChem CID:	92098510
Reduced:	SO2N6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	41.26
Dipole, Da:	3.62
IP(EA), eV:	-9.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3CCC(CC3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations