Geometry & MOs

Info

ID:	82050
PubChem CID:	49855527
Reduced:	FSN3O3H28C36 (1)
Stoich.:	ABC3D3E28F36 (1)
Weight, g/mol:	549.208613
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	7.31
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-[(2-propan-2-ylbenzoyl)amino]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=CC=CC=C6C7=CC=C(C=C7)F

DOS

IR

Vibrations