Geometry & MOs

Info

ID:	313812
PubChem CID:	126617959
Reduced:	O6C25H48 (1)
Stoich.:	A6B25C48 (1)
Weight, g/mol:	612.17626
ΔH_f, kcal/mol:	-366.41
Dipole, Da:	6.37
IP(EA), eV:	-10.51(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-(3,5-difluorophenyl)carbamoyl]-5-oxopiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCCCCCCCCCC(=O)O)C(=O)OCC(CO)O

DOS

IR

Vibrations