Geometry & MOs

Info

ID:	220645
PubChem CID:	85200868
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	475.243084
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	3.86
IP(EA), eV:	-9.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-(hexoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(C(C(C2N=[N+]=[N-])(CO)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations