Geometry & MOs

Info

ID:	402399
PubChem CID:	135055848
Reduced:	N3O6C21H31 (1)
Stoich.:	A3B6C21D31 (1)
Weight, g/mol:	288.168522
ΔH_f, kcal/mol:	-242.84
Dipole, Da:	8.09
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[(3R)-2-oxopentan-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CC[C@H](/C(=N/C(=O)OCC1=CC=CC=C1)/C)N(C(=O)OC(C)C)NC(=O)OC(C)C

DOS

IR

Vibrations