Geometry & MOs

Info

ID:	170187
PubChem CID:	75205439
Reduced:	NSO5H23C24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-119.06
Dipole, Da:	6.58
IP(EA), eV:	-8.06(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-3-(2,6-dimethylphenyl)-1-methylthiourea

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations