Geometry & MOs

Info

ID:	65476
PubChem CID:	38671841
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-158.94
Dipole, Da:	2.95
IP(EA), eV:	-9.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations