Geometry & MOs

Info

ID:	405686
PubChem CID:	135075000
Reduced:	IOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	615.23078
ΔH_f, kcal/mol:	4.21
Dipole, Da:	2.57
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[(1R,2R)-1,2-dimethoxy-3-[[(2S)-4-methyl-2-(prop-2-enoylamino)pentanoyl]-(2-methylpropyl)amino]propyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C#CCCCCCCCCCOC1=CC=CC=C1I

DOS

IR

Vibrations