Geometry & MOs

Info

ID:	176944
PubChem CID:	76115440
Reduced:	NO4C29H43 (1)
Stoich.:	AB4C29D43 (1)
Weight, g/mol:	618.30535
ΔH_f, kcal/mol:	-178.15
Dipole, Da:	3.58
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-amino-3-methylbutanoyl)-[1-[1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=COC3CCCCC3C2=O)C

DOS

IR

Vibrations