Geometry & MOs

Info

ID:

84547

PubChem CID:

49867664

Reduced:

ON5C30H47 (1)

Stoich.:

AB5C30D47 (1)

Weight, g/mol:

506.147135

ΔHf, kcal/mol:

-56.02

Dipole, Da:

5.06

IP(EA), eV:

 -7.52(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CC=C2NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C)C

DOS

IR

Vibrations