Geometry & MOs

Info

ID:	431831
PubChem CID:	135171945
Reduced:	SO3N5C23H33 (1)
Stoich.:	AB3C5D23E33 (1)
Weight, g/mol:	459.230411
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	5.72
IP(EA), eV:	-8.71(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=C(S3)C(=O)N

DOS

IR

Vibrations