Geometry & MOs

Info

ID:	309229
PubChem CID:	126540775
Reduced:	FN5O5C22H26 (1)
Stoich.:	AB5C5D22E26 (1)
Weight, g/mol:	386.183956
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	5.01
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)-2,3-dihydrothiophene-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CCN4O)F

DOS

IR

Vibrations