Geometry & MOs

Info

ID:	268218
PubChem CID:	103598443
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	335.049526
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	1.5
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)NNC(=O)C=CC1=CC2=CC=CC=C2O1

DOS

IR

Vibrations