Geometry & MOs

Info

ID:	35277
PubChem CID:	7979614
Reduced:	SN3O5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-164.82
Dipole, Da:	4.4
IP(EA), eV:	-10.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)C

DOS

IR

Vibrations