Geometry & MOs

Info

ID:	186794
PubChem CID:	77485940
Reduced:	BrFNO4C18H23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	493.178376
ΔH_f, kcal/mol:	-221.27
Dipole, Da:	4.55
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[5-(3-amino-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C(=CC1=C(C=CC(=C1)Br)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations