Geometry & MOs

Info

ID:

320147

PubChem CID:

126658482

Reduced:

O5N6C22H38 (1)

Stoich.:

A5B6C22D38 (1)

Weight, g/mol:

502.253983

ΔHf, kcal/mol:

-231.07

Dipole, Da:

2.76

IP(EA), eV:

 -9.28(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations