Geometry & MOs

Info

ID:

221245

PubChem CID:

85261652

Reduced:

O7H30C34 (1)

Stoich.:

A7B30C34 (1)

Weight, g/mol:

490.290368

ΔHf, kcal/mol:

-173.58

Dipole, Da:

9.16

IP(EA), eV:

 -8.81(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)C)C(=CC(=O)O2)C4=CC=CC=C4)COC(=O)C=CC5=CC=CC=C5

DOS

IR

Vibrations