Geometry & MOs

Info

ID:	359059
PubChem CID:	127297303
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	356.156101
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	6.56
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-(4-pyridazin-3-yl-1,4-diazepan-1-yl)quinazoline

Drug info:

PubChemData

Smile

CC1COCCN1CCNC2=C(C=CC=N2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations