Geometry & MOs

Info

ID:	82496
PubChem CID:	49856103
Reduced:	SN3O3H27C34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	551.151492
ΔH_f, kcal/mol:	16.67
Dipole, Da:	6.94
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1,3-benzodioxole-5-carbonylamino)benzoyl]-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations