Geometry & MOs

Info

ID:	334605
PubChem CID:	127253280
Reduced:	N3O4H25C27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	3.12
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCCC(=O)NCCC5=CC=C(C=C5)O

DOS

IR

Vibrations