Geometry & MOs

Info

ID:

327618

PubChem CID:

126690529

Reduced:

N2O7C26H36 (1)

Stoich.:

A2B7C26D36 (1)

Weight, g/mol:

704.244641

ΔHf, kcal/mol:

-316.09

Dipole, Da:

7.15

IP(EA), eV:

 -8.99(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-(2,6-difluoro-4-methoxyphenyl)acetyl]amino]benzoyl]-[[4-[N'-[4-(4-methylphenyl)benzoyl]carbamimidoyl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(CN(CC1=CC=C(C=C1)C(=O)O)C(C2=CC=C(C=C2)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations