Geometry & MOs

Info

ID:	56478
PubChem CID:	17435851
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	445.104245
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	1.85
IP(EA), eV:	-8.73(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N(C2=O)C)Cl

DOS

IR

Vibrations