Geometry & MOs

Info

ID:	84169
PubChem CID:	49864723
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	410.172083
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	6.77
IP(EA), eV:	-8.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3S)-3-(2-amino-5-chlorobenzimidazol-1-yl)pentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC(=C1)N2CCN(CC2)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations