Geometry & MOs

Info

ID:	194161
PubChem CID:	78492641
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	415.148967
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	4.44
IP(EA), eV:	-9.57(-0.73)
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-[4-(difluoromethoxy)phenyl]-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations