Geometry & MOs

Info

ID:	65262
PubChem CID:	29204682
Reduced:	SCl2N3O4C18H21 (1)
Stoich.:	AB2C3D4E18F21 (1)
Weight, g/mol:	480.133111
ΔH_f, kcal/mol:	-150.87
Dipole, Da:	2.86
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCCC(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations