Geometry & MOs

Info

ID:	82049
PubChem CID:	49855524
Reduced:	N2O2C13H13 (2)
Stoich.:	A2B2C13D13 (2)
Weight, g/mol:	601.183541
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CN=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C(=O)N2C4=NN=C(C=C4)C

DOS

IR

Vibrations