Geometry & MOs

Info

ID:	397441
PubChem CID:	135030223
Reduced:	O2N3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	558.226054
ΔH_f, kcal/mol:	1.29
Dipole, Da:	4.11
IP(EA), eV:	-10.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenesulfonamido)-3-[[3-methoxy-4-[(3R)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)C2=NC(=CC=C2)C(=O)N

DOS

IR

Vibrations