Geometry & MOs

Info

ID:	437962
PubChem CID:	135227415
Reduced:	SC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	115.04557
ΔH_f, kcal/mol:	86.49
Dipole, Da:	0.87
IP(EA), eV:	-8.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-but-1-enyl]methanethioamide

Drug info:

PubChemData

Smile

C=C/C=C(/S/C(=C/C=C)/C=C)\C=C

DOS

IR

Vibrations