Geometry & MOs

Info

ID:	134081
PubChem CID:	51638168
Reduced:	O2S3N4C22H26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	453.17337
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	4.45
IP(EA), eV:	-8.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

DOS

IR

Vibrations