Geometry & MOs

Info

ID:	44862
PubChem CID:	10506220
Reduced:	SN3O7H25C26 (1)
Stoich.:	AB3C7D25E26 (1)
Weight, g/mol:	523.152555
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	7.3
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-(naphthalen-2-ylsulfonylamino)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)NN3C(SCC3=O)C4=CC=CC=C4O

DOS

IR

Vibrations