Geometry & MOs

Info

ID:	432060
PubChem CID:	135172192
Reduced:	O3N5C25H39 (1)
Stoich.:	A3B5C25D39 (1)
Weight, g/mol:	462.230077
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	7.3
IP(EA), eV:	-8.26(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NNC(=N3)CCOC

DOS

IR

Vibrations