Geometry & MOs

Info

ID:	82345
PubChem CID:	49855917
Reduced:	S2N3O3H25C29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	573.183461
ΔH_f, kcal/mol:	-8.52
Dipole, Da:	6.84
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=C(C5=CC=CC=C53)SC(=C4)C(=O)NC6CC6

DOS

IR

Vibrations