Geometry & MOs

Info

ID:	220549
PubChem CID:	85197741
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	327.136511
ΔH_f, kcal/mol:	-215.12
Dipole, Da:	6.55
IP(EA), eV:	-9.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(diethylamino)propyl]-3-[(5-nitrothiophen-2-yl)methylideneamino]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C(C1)S(=O)(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations