Geometry & MOs

Info

ID:	218679
PubChem CID:	85089799
Reduced:	FSO4C28H43 (1)
Stoich.:	ABC4D28E43 (1)
Weight, g/mol:	494.153239
ΔH_f, kcal/mol:	-237.92
Dipole, Da:	4.87
IP(EA), eV:	-8.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamimidoylphenyl)methyl]-1-[2-[3-chloro-5-(1,3-difluoropropan-2-yloxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC=C(F)S(=O)(=O)C(C)(C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

DOS

IR

Vibrations