Geometry & MOs

Info

ID:	426735
PubChem CID:	135153620
Reduced:	BrS2N3H4F6C11 (1)
Stoich.:	AB2C3D4E6F11 (1)
Weight, g/mol:	464.201275
ΔH_f, kcal/mol:	-203.18
Dipole, Da:	2.16
IP(EA), eV:	-9.41(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)NC(=S)C2=C(N=NS2)C(F)F)Br)C(F)(F)F

DOS

IR

Vibrations