Geometry & MOs

Info

ID:	447776
PubChem CID:	135285636
Reduced:	SO3N5C35H43 (1)
Stoich.:	AB3C5D35E43 (1)
Weight, g/mol:	347.064839
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	6.67
IP(EA), eV:	-8.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]-N-(1-cyanocyclopropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)C5=NC6=C(S5)N=CC=C6)C=C3

DOS

IR

Vibrations