Geometry & MOs

Info

ID:	136012
PubChem CID:	51965504
Reduced:	OSN5C25H34 (1)
Stoich.:	ABC5D25E34 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	24.29
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770717
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)C[NH+]([C@@H]4CCC5C4CCCC5)C6CC6

DOS

IR

Vibrations