Geometry & MOs

Info

ID:	140331
PubChem CID:	52683259
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	428.200788
ΔH_f, kcal/mol:	19.85
Dipole, Da:	0.98
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(3-methylphenyl)methyl]-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CN=C(N=C2)N3CCOCC3)/C#N)C

DOS

IR

Vibrations