Geometry & MOs

Info

ID:

320148

PubChem CID:

126658483

Reduced:

N3O3C12H17 (2)

Stoich.:

A3B3C12D17 (2)

Weight, g/mol:

564.269633

ΔHf, kcal/mol:

-218.59

Dipole, Da:

5.63

IP(EA), eV:

 -9.16(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[2-[1-[(3-methoxybenzoyl)amino]-3-methylbutyl]-5-phenyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C(CC(C)C)NC(=O)C2=CC(=CC=C2)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations