Geometry & MOs

Info

ID:	422892
PubChem CID:	135118575
Reduced:	ClSO2N4C20H25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	2.9
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations