Geometry & MOs

Info

ID:	879
PubChem CID:	3478
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-133.2
Dipole, Da:	6.29
IP(EA), eV:	-9.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations