Geometry & MOs

Info

ID:	339636
PubChem CID:	127261626
Reduced:	OSN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	27.18
Dipole, Da:	4.72
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(3,4-dimethoxyphenyl)-phenylmethylidene]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C/C(=C\NNC(=S)N)/C1=O

DOS

IR

Vibrations