Geometry & MOs

Info

ID:	160663
PubChem CID:	57389363
Reduced:	F3O3N4H23C24 (1)
Stoich.:	A3B3C4D23E24 (1)
Weight, g/mol:	232.088164
ΔH_f, kcal/mol:	-219.38
Dipole, Da:	9.86
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=C(N=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations