Geometry & MOs

Info

ID:	60288
PubChem CID:	26676109
Reduced:	SO2Cl3N3H16C17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	410.98077
ΔH_f, kcal/mol:	-30.27
Dipole, Da:	5.08
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromobenzoyl)amino]-3-[2-(4-chlorophenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations