Geometry & MOs

Info

ID:	141878
PubChem CID:	52944410
Reduced:	ClN3O4C31H36 (1)
Stoich.:	AB3C4D31E36 (1)
Weight, g/mol:	387.119461
ΔH_f, kcal/mol:	-150.3
Dipole, Da:	3.75
IP(EA), eV:	-9.29(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-fluoroprop-1-ynyl)phenyl]-3-methylimidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations