Geometry & MOs

Info

ID:	134632
PubChem CID:	51730801
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	442.202321
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	7.43
IP(EA), eV:	-8.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CO3)C(=O)CN4CCC[C@H](C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations