Geometry & MOs

Info

ID:	178107
PubChem CID:	76278114
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	469.051461
ΔH_f, kcal/mol:	-150.11
Dipole, Da:	7.37
IP(EA), eV:	-9.31(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations