Geometry & MOs

Info

ID:

441582

PubChem CID:

135236478

Reduced:

ClN6O6C30H39 (1)

Stoich.:

AB6C6D30E39 (1)

Weight, g/mol:

614.261961

ΔHf, kcal/mol:

-181.62

Dipole, Da:

10.23

IP(EA), eV:

 -9.52(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-1-[[1-[(2-chlorophenyl)methylamino]-6-[(2-cyano-4-methylpent-2-enoyl)-methylamino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC(C(C)O)C(=O)NC(CCCCN(C)C(=O)C(=CC(C)C)C#N)C(=O)NCC2=CC=CC=C2Cl

DOS

IR

Vibrations