Geometry & MOs

Info

ID:	147674
PubChem CID:	53787331
Reduced:	SN5O7C28H29 (1)
Stoich.:	AB5C7D28E29 (1)
Weight, g/mol:	231.140533
ΔH_f, kcal/mol:	-147.59
Dipole, Da:	12.97
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N'-(diethylcarbamoyl)carbamimidothioate

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4

DOS

IR

Vibrations