Geometry & MOs

Info

ID:	138086
PubChem CID:	52311366
Reduced:	FNOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	371.99657
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	5.67
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S[C@@H](C)C(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations