Geometry & MOs

Info

ID:	58068
PubChem CID:	24423866
Reduced:	S2O4N5C15H17 (1)
Stoich.:	A2B4C5D15E17 (1)
Weight, g/mol:	377.082761
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	9.04
IP(EA), eV:	-9.16(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypropyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C

DOS

IR

Vibrations