Geometry & MOs

Info

ID:	228287
PubChem CID:	87563811
Reduced:	O2N3Cl4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	328.236208
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756027
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-3-cyclohexyl-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CN(C)CC[N+](C)([C@@H](CC1=C(C=C(C=C1)Cl)Cl)C(=O)N)C(=O)C2(CC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations