Geometry & MOs

Info

ID:	245587
PubChem CID:	99455469
Reduced:	FON6H21C23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	45.63
Dipole, Da:	3.03
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCNC3=NC=CN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations