Geometry & MOs

Info

ID:	222414
PubChem CID:	85300628
Reduced:	ClO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	320.150285
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	3.44
IP(EA), eV:	-8.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1-chloro-5-methyl-2-oxohexan-3-yl)amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C2CCC3CCC(=O)CC3(C2=C1OC)C=C)Cl

DOS

IR

Vibrations