Geometry & MOs

Info

ID:	180193
PubChem CID:	76594329
Reduced:	F2O4N7C39H45 (1)
Stoich.:	A2B4C7D39E45 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.68
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-[[pent-4-enyl(propan-2-yl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CN(CC1=CN2C=C(C=CC2=N1)F)C3CCC(CC3)N4C(=O)C5CC(CNC5N(C4=O)C6=CC=CC(=C6)C7=C(C=C(C=C7)O)CN8CCOCC8)F

DOS

IR

Vibrations