Geometry & MOs

Info

ID:	304507
PubChem CID:	124756092
Reduced:	SO2N4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	382.273262
ΔH_f, kcal/mol:	-22.53
Dipole, Da:	3.02
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C)N(C)CC1=NC(=NO1)CSC

DOS

IR

Vibrations