Geometry & MOs

Info

ID:	160726
PubChem CID:	57389568
Reduced:	ClSO2N4C16H17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	384.15777
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	4.22
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-tert-butyltetrazol-5-yl)-N-(3-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)N2CCC3=NC(=NC=C3C2)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations