Geometry & MOs

Info

ID:	447208
PubChem CID:	135281188
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	420.02556
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	2.92
IP(EA), eV:	-8.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[(6-bromoquinazolin-2-yl)amino]ethyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C=C1CCC(=C)N1OC(=O)C2CCC(CC2)CN3C(=O)C=CC3=O

DOS

IR

Vibrations