Geometry & MOs

Info

ID:	44595
PubChem CID:	10504275
Reduced:	ClN2O3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	463.206698
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	2.87
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(4R,5S)-3-(4-carbamimidoylphenyl)-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2C(=O)CC4=CC=C(C=C4)OCCCCCCCl

DOS

IR

Vibrations