Geometry & MOs

Info

ID:	187721
PubChem CID:	77614630
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	551.209946
ΔH_f, kcal/mol:	-166.79
Dipole, Da:	2.78
IP(EA), eV:	-9.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethylpyrimidin-5-yl) N-[3-[5-(2-chloro-6-fluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(CO)O)C)C(=O)N

DOS

IR

Vibrations