Geometry & MOs

Info

ID:	65374
PubChem CID:	29214813
Reduced:	OS2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	6.73
IP(EA), eV:	-8.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-3-butyl-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=CC2=C(S1)CCCCC2

DOS

IR

Vibrations