Geometry & MOs

Info

ID:	65355
PubChem CID:	29214783
Reduced:	OSN10C16H24 (1)
Stoich.:	ABC10D16E24 (1)
Weight, g/mol:	482.121311
ΔH_f, kcal/mol:	125.19
Dipole, Da:	8.57
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-3-butyl-1-methylthiourea

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CSC2=NN=C(N2N)N/N=C\C3=C(N(N=C3C)C(C)C)C

DOS

IR

Vibrations