Geometry & MOs

Info

ID:	443603
PubChem CID:	135259451
Reduced:	SN3O7C31H33 (1)
Stoich.:	AB3C7D31E33 (1)
Weight, g/mol:	331.9514
ΔH_f, kcal/mol:	-214.74
Dipole, Da:	2.91
IP(EA), eV:	-8.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dithian-4-ylamino)-N-iodopropanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)O[C@H]4C[C@H]5CC=C[C@H]5C4)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations