Geometry & MOs

Info

ID:	161475
PubChem CID:	57391767
Reduced:	F3N4O4C27H33 (1)
Stoich.:	A3B4C4D27E33 (1)
Weight, g/mol:	491.214424
ΔH_f, kcal/mol:	-304.04
Dipole, Da:	2.57
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3R)-1-(4-hydroxy-4-pyrimidin-4-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O

DOS

IR

Vibrations