Geometry & MOs

Info

ID:

405687

PubChem CID:

135075002

Reduced:

BrN3O5C31H42 (1)

Stoich.:

AB3C5D31E42 (1)

Weight, g/mol:

573.18383

ΔHf, kcal/mol:

-186.0

Dipole, Da:

4.17

IP(EA), eV:

 -8.7(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-bromo-N-[2-[(1R,2R)-1,2-dimethoxy-3-[2-methylpropyl-[(2S)-2-(prop-2-enoylamino)propanoyl]amino]propyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C[C@H]([C@@H](C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)Br)OC)OC)CC(C)C)NC(=O)C=C

DOS

IR

Vibrations