Geometry & MOs

Info

ID:	432025
PubChem CID:	135172157
Reduced:	N2O5C28H32 (1)
Stoich.:	A2B5C28D32 (1)
Weight, g/mol:	493.255226
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	4.84
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[6-(trifluoromethyl)pyridin-3-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)OC)NC[C@H](C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3)O

DOS

IR

Vibrations