Geometry & MOs

Info

ID:	346587
PubChem CID:	127271091
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-201.54
Dipole, Da:	4.08
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-oxo-N-[1-(oxolan-2-yl)propan-2-yl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations