Geometry & MOs

Info

ID:	431761
PubChem CID:	135171865
Reduced:	N3O4C27H39 (1)
Stoich.:	A3B4C27D39 (1)
Weight, g/mol:	474.266462
ΔH_f, kcal/mol:	-152.0
Dipole, Da:	2.81
IP(EA), eV:	-8.35(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=C3)COC

DOS

IR

Vibrations