Geometry & MOs

Info

ID:

441581

PubChem CID:

135236477

Reduced:

N3O4C13H13 (1)

Stoich.:

A3B4C13D13 (1)

Weight, g/mol:

614.261961

ΔHf, kcal/mol:

-111.65

Dipole, Da:

9.84

IP(EA), eV:

 -8.81(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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

CC(=O)NC1=C(C=C(C(=C1)C(=O)O)NC=CC#N)OC

DOS

IR

Vibrations