Geometry & MOs

Info

ID:	62837
PubChem CID:	26737128
Reduced:	O2S2N3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	490.134462
ΔH_f, kcal/mol:	3.56
Dipole, Da:	3.81
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[2-(4-sulfamoylphenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

DOS

IR

Vibrations