Geometry & MOs

Info

ID:	234354
PubChem CID:	92298247
Reduced:	O3S3N4C28H36 (1)
Stoich.:	A3B3C4D28E36 (1)
Weight, g/mol:	563.318815
ΔH_f, kcal/mol:	-91.95
Dipole, Da:	7.7
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C5=C(S4)C[C@H](CC5)C(C)(C)C

DOS

IR

Vibrations