Geometry & MOs

Info

ID:	195421
PubChem CID:	78684425
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	355.011905
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	2.68
IP(EA), eV:	-9.47(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]carbamate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31

DOS

IR

Vibrations