Geometry & MOs

Info

ID:	58072
PubChem CID:	24423883
Reduced:	S2O4N5C14H21 (1)
Stoich.:	A2B4C5D14E21 (1)
Weight, g/mol:	477.033224
ΔH_f, kcal/mol:	-55.72
Dipole, Da:	5.82
IP(EA), eV:	-9.19(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-phenylthiourea

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations