Geometry & MOs

Info

ID:	138533
PubChem CID:	52381096
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	516.204256
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	5.25
IP(EA), eV:	-8.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CCC(=O)N[C@H](C)C3=NC(=NO3)CCOC

DOS

IR

Vibrations