Geometry & MOs

Info

ID:	214369
PubChem CID:	84981709
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	399.098
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	9.58
IP(EA), eV:	-8.5(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-bromophenyl)acetyl]amino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC2=CC=CC=C2OC1=O

DOS

IR

Vibrations