Geometry & MOs

Info

ID:	408382
PubChem CID:	135081148
Reduced:	BrN4H44C46 (2)
Stoich.:	AB4C44D46 (2)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	462.37
Dipole, Da:	12.39
IP(EA), eV:	-7.75(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-N-benzyl-2-hydroxypentanamide

Drug info:

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)C(C)(C)C)C5=NC3=NC6=C7C=C(C(=CC7=C(N6)N=C8C9=CC(=C(C=C9C(=N8)N=C1C2=CC(=C(C=C2C(=N5)N1)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)Br)Br)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations