Geometry & MOs

Info

ID:

441591

PubChem CID:

135236600

Reduced:

SN5O7C32H35 (1)

Stoich.:

AB5C7D32E35 (1)

Weight, g/mol:

633.22572

ΔHf, kcal/mol:

-201.68

Dipole, Da:

4.39

IP(EA), eV:

 -9.26(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-1-[[4-[3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(CCC2=CC(=CC=C2)C=C3C(=O)N(C(=O)S3)C)NC(=O)C(C(C)O)NC(=O)C4=NOC(=C4)C

DOS

IR

Vibrations