Geometry & MOs

Info

ID:	138087
PubChem CID:	52311449
Reduced:	BrON2S2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	371.99657
ΔH_f, kcal/mol:	7.77
Dipole, Da:	3.4
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromothiophen-2-yl)methyl]-1-methyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea

Drug info:

PubChemData

Smile

C[C@@H](CC1=CSC=C1)NC(=O)N(C)CC2=CC=C(S2)Br

DOS

IR

Vibrations