Geometry & MOs

Info

ID:	224041
PubChem CID:	85337442
Reduced:	BrN2O5C24H29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	506.314458
ΔH_f, kcal/mol:	-190.32
Dipole, Da:	7.72
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 3-[4-cyano-3-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br)N

DOS

IR

Vibrations