Geometry & MOs

Info

ID:	187983
PubChem CID:	77650230
Reduced:	NO3C28H37 (1)
Stoich.:	AB3C28D37 (1)
Weight, g/mol:	491.180484
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	2.8
IP(EA), eV:	-8.51(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[3-(4-carbamoyl-5,6-dioxopyrimidin-2-yl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OCCC(CC3=CC=CC=C3)N4CCCC4)O

DOS

IR

Vibrations