Geometry & MOs

Info

ID:	436377
PubChem CID:	135199515
Reduced:	FN2O7C30H41 (1)
Stoich.:	AB2C7D30E41 (1)
Weight, g/mol:	321.113171
ΔH_f, kcal/mol:	-330.9
Dipole, Da:	2.63
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloroamino)prop-1-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@@H]([C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)C2=NC=CC(=C2OC(=O)CCOC)OC)C(C)C

DOS

IR

Vibrations