Geometry & MOs

Info

ID:	415246
PubChem CID:	135088238
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	6.51
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yloxy-4-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)CCNC(=O)C(C)(C)NC(=O)C2=CC=CS2)C

DOS

IR

Vibrations