Geometry & MOs

Info

ID:	161388
PubChem CID:	57391518
Reduced:	ClN3O6C26H26 (1)
Stoich.:	AB3C6D26E26 (1)
Weight, g/mol:	577.0299
ΔH_f, kcal/mol:	-190.5
Dipole, Da:	6.97
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)CC(=O)O)OC)NC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations