Geometry & MOs

Info

ID:	120691
PubChem CID:	50740212
Reduced:	S2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	464.074361
ΔH_f, kcal/mol:	-86.63
Dipole, Da:	2.2
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)N3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations