Geometry & MOs

Info

ID:	135258
PubChem CID:	51842544
Reduced:	N3O3C31H33 (1)
Stoich.:	A3B3C31D33 (1)
Weight, g/mol:	454.165935
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	2.84
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(C)(C)C)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations