Geometry & MOs

Info

ID:	137320
PubChem CID:	52189864
Reduced:	SO3N4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	14.55
Dipole, Da:	9.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754469
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)ethyl]-3-(2-methyl-3-nitrophenyl)-1-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations