Geometry & MOs

Info

ID:	431692
PubChem CID:	135171788
Reduced:	N2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	486.227632
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	2.76
IP(EA), eV:	-8.18(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[4-[bis(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)OC)C1=C(C=C(C=C1)C(C)CC(=O)OC)N

DOS

IR

Vibrations