Geometry & MOs

Info

ID:	349204
PubChem CID:	127274930
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-207.24
Dipole, Da:	7.17
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,4-oxazepane-4-carbonyl)-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CS(=O)(=O)NC2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations