Geometry & MOs

Info

ID:	49714
PubChem CID:	11533650
Reduced:	ClNSO5C27H30 (1)
Stoich.:	ABCD5E27F30 (1)
Weight, g/mol:	516.2544
ΔH_f, kcal/mol:	-180.35
Dipole, Da:	6.79
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methyl-1-[[(2S)-3-[(4-methylbenzoyl)amino]-2-[(5-phenylpyridine-3-carbonyl)amino]propanoyl]amino]butyl]boronic acid

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=CC(=C1)CN2C(CCC2=O)CCC(CCC3=C(C4=CC=CC=C4S3)Cl)O

DOS

IR

Vibrations