Geometry & MOs

Info

ID:	122798
PubChem CID:	50822091
Reduced:	ClS2N3O5H18C21 (1)
Stoich.:	AB2C3D5E18F21 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	3.64
IP(EA), eV:	-8.47(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)S(=O)(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations