Geometry & MOs

Info

ID:	229793
PubChem CID:	87569070
Reduced:	ClPSN2O5C18H26 (1)
Stoich.:	ABCD2E5F18G26 (1)
Weight, g/mol:	402.242773
ΔH_f, kcal/mol:	-259.56
Dipole, Da:	11.01
IP(EA), eV:	-8.89(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-deuterio-1-[deuterio-[2,2,3-trideuterio-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoyl]amino]-3-phenylurea

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C.C1CCNNC1

DOS

IR

Vibrations