Geometry & MOs

Info

ID:	188379
PubChem CID:	77707443
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	550.326754
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	4.94
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-oxo-1-[4-[[3-(2-phenylethylamino)pyrazine-2-carbonyl]amino]cyclohexyl]-2-pyrrolidin-1-ylethyl]carbamate

Drug info:

PubChemData

Smile

CCC(=CC1=C(C2=C(C=C1)OCCO2)OC)C(=O)C3=CC(=C(C=C3)N)OC

DOS

IR

Vibrations