Geometry & MOs

Info

ID:	431797
PubChem CID:	135171903
Reduced:	O3N6C23H34 (1)
Stoich.:	A3B6C23D34 (1)
Weight, g/mol:	483.197397
ΔH_f, kcal/mol:	-95.34
Dipole, Da:	5.66
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-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)C(=O)N

DOS

IR

Vibrations