Geometry & MOs

Info

ID:	37189
PubChem CID:	8018129
Reduced:	ClO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	413.068644
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	8.73
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

DOS

IR

Vibrations