Geometry & MOs

Info

ID:	268220
PubChem CID:	103598448
Reduced:	SO2N4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	378.99901
ΔH_f, kcal/mol:	0.96
Dipole, Da:	1.84
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(3-bromophenyl)thiophen-2-yl]prop-2-enoylamino]-3-methylurea

Drug info:

PubChemData

Smile

CNC(=O)NNC(=O)C=CC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations