Geometry & MOs

Info

ID:	141861
PubChem CID:	52941134
Reduced:	ClO2N5C20H36 (1)
Stoich.:	AB2C5D20E36 (1)
Weight, g/mol:	431.238434
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	3.59
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-4-[[1-(4-tert-butylpyridin-2-yl)cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N=C(C1)NCCCNC[C@@H]([C@@H](CNCCCN)O)O.Cl

DOS

IR

Vibrations