Geometry & MOs

Info

ID:	136013
PubChem CID:	51965804
Reduced:	ClSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	-14.08
Dipole, Da:	5.32
IP(EA), eV:	-9.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-methyl-N-[(6S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)N[C@@H]2CCC3=NC(=NC=C3C2)C4=CC=CC=C4

DOS

IR

Vibrations