Geometry & MOs

Info

ID:	65339
PubChem CID:	29214720
Reduced:	OS3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	371.143426
ΔH_f, kcal/mol:	63.02
Dipole, Da:	4.67
IP(EA), eV:	-8.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[4-(4-chloro-3-methylphenoxy)butanoylamino]-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations