Geometry & MOs

Info

ID:	82004
PubChem CID:	49855465
Reduced:	N3O3C34H35 (1)
Stoich.:	A3B3C34D35 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	3.92
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-anilino-5-hydroxy-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C2=NC3=C(CN(CC3)C(=O)N[C@H](C)C4=CC=CC=C4)C5=C2C[C@@H](OC5)C6=CC=CC=C6

DOS

IR

Vibrations