Geometry & MOs

Info

ID:	34400
PubChem CID:	7891116
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	403.057982
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	4.0
IP(EA), eV:	-9.03(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-chlorophenyl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations