Geometry & MOs

Info

ID:

221616

PubChem CID:

85285720

Reduced:

S2O4N5H25C28 (1)

Stoich.:

A2B4C5D25E28 (1)

Weight, g/mol:

559.10665

ΔHf, kcal/mol:

-11.95

Dipole, Da:

5.88

IP(EA), eV:

 -8.31(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=C3N(C(=O)CS3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations