Geometry & MOs

Info

ID:	312414
PubChem CID:	126604739
Reduced:	O2S2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	271.081305
ΔH_f, kcal/mol:	18.49
Dipole, Da:	4.38
IP(EA), eV:	-8.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-[amino(hydroxy)amino]-3-methyl-5-(methylaminomethylidene)-3,3a,6,7-tetrahydro-2-benzothiophene-4-thione

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=C3C(=C(S2)C(=O)NCN)CCC4=C3SN=C4

DOS

IR

Vibrations