Geometry & MOs

Info

ID:	432015
PubChem CID:	135172147
Reduced:	SF3O4N5C27H38 (1)
Stoich.:	AB3C4D5E27F38 (1)
Weight, g/mol:	459.22887
ΔH_f, kcal/mol:	-293.96
Dipole, Da:	5.67
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(5-chloropyridin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)CCOC)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations