Geometry & MOs

Info

ID:	442949
PubChem CID:	135257021
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	146.051384
ΔH_f, kcal/mol:	-2.56
Dipole, Da:	2.07
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-amino N-[(Z)-but-2-en-2-yl]carbamothioate

Drug info:

PubChemData

Smile

CCOCN1C2=CC=CC=C2C=C1C(=O)C3=CC=NC=C3

DOS

IR

Vibrations