Geometry & MOs

Info

ID:	420219
PubChem CID:	135111911
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	394.172894
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	6.67
IP(EA), eV:	-9.2(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(pyrazin-2-ylmethyl)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=CC=NN4C

DOS

IR

Vibrations