Geometry & MOs

Info

ID:	141864
PubChem CID:	52941759
Reduced:	Cl2N3O10C27H33 (1)
Stoich.:	A2B3C10D27E33 (1)
Weight, g/mol:	430.243185
ΔH_f, kcal/mol:	-415.63
Dipole, Da:	4.97
IP(EA), eV:	-8.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC2=CC=C(C=C2)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations