Geometry & MOs

Info

ID:	431981
PubChem CID:	135172109
Reduced:	ClSO3N4C22H31 (1)
Stoich.:	ABC3D4E22F31 (1)
Weight, g/mol:	464.201275
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	7.3
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[3-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)OCC(=O)O)NC3=NC(=NS3)Cl

DOS

IR

Vibrations