Geometry & MOs

Info

ID:	82495
PubChem CID:	49856100
Reduced:	SO3N5H25C32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	557.177313
ΔH_f, kcal/mol:	40.33
Dipole, Da:	8.39
IP(EA), eV:	-9.04(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-(naphthalene-2-carbonylamino)benzoyl]-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=C7C(=CC=C6)N=CC=N7

DOS

IR

Vibrations