Geometry & MOs

Info

ID:	161389
PubChem CID:	57391521
Reduced:	ClISN3O4C21H25 (1)
Stoich.:	ABCD3E4F21G25 (1)
Weight, g/mol:	533.02815
ΔH_f, kcal/mol:	-149.62
Dipole, Da:	7.12
IP(EA), eV:	-8.63(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5,5-dimethyl-8-oxo-6,7-dihydro-4H-thieno[2,3-c]azepine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)NC1)SC(=C2C(=O)NCC[C@H](CO)O)NC3=C(C=C(C=C3)I)Cl)C

DOS

IR

Vibrations