Geometry & MOs

Info

ID:	381734
PubChem CID:	134972552
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	1.41
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylbenzimidazol-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)NN(C(=C1CCC1)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations