Geometry & MOs

Info

ID:	188833
PubChem CID:	77772483
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	651.353303
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	1.0
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-[2-[[4-(N'-benzoylcarbamimidoyl)anilino]methyl]-4-methyl-1H-benzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OCC2(CCN2)C(=O)OC(C)(C)C

DOS

IR

Vibrations