Geometry & MOs

Info

ID:	309978
PubChem CID:	126572003
Reduced:	NO3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	350.090489
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	2.57
IP(EA), eV:	-8.78(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2Z)-2-(carbamothioylhydrazinylidene)-2-(1,3-dithian-2-yl)ethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(COCCOC1(CCN(CC1)CC2=CC=CC=C2)C)OCC3=CC=CC=C3

DOS

IR

Vibrations