Geometry & MOs

Info

ID:

327620

PubChem CID:

126690537

Reduced:

N4O5C36H36 (1)

Stoich.:

A4B5C36D36 (1)

Weight, g/mol:

653.263819

ΔHf, kcal/mol:

-91.39

Dipole, Da:

5.43

IP(EA), eV:

 -9.05(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-(4-aminophenyl)acetyl]amino]benzoyl]-[[4-[N'-[4-(4-methylphenyl)benzoyl]carbamimidoyl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN(CC(O)O)C(=O)C5=CC=C(C=C5)NC(=O)CC(C)C

DOS

IR

Vibrations