Geometry & MOs

Info

ID:	421460
PubChem CID:	135116044
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	5.89
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C(=O)C3=CC=C(O3)CSC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations