Geometry & MOs

Info

ID:	423012
PubChem CID:	135118761
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-211.8
Dipole, Da:	7.79
IP(EA), eV:	-9.35(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N,5,6-tetramethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)NCC2(CCOCC2)CO)S(=O)(=O)C

DOS

IR

Vibrations