Geometry & MOs

Info

ID:	218274
PubChem CID:	85089116
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	444.23727
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	4.38
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-methylbutanoyl)-N-[1-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCCC3)C4=CN=CC=C4

DOS

IR

Vibrations