Geometry & MOs

Info

ID:	52937
PubChem CID:	14709239
Reduced:	N2O2S2C11H14 (1)
Stoich.:	A2B2C2D11E14 (1)
Weight, g/mol:	298.08097
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	2.28
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]carbamodithioic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NNC(=S)S

DOS

IR

Vibrations