Geometry & MOs

Info

ID:	60275
PubChem CID:	26676080
Reduced:	SCl2O2N4C20H22 (1)
Stoich.:	AB2C2D4E20F22 (1)
Weight, g/mol:	476.16489
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	4.62
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methylpentanoyl]amino]-3-[2-(4-chlorophenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=S)NNC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations