Geometry & MOs

Info

ID:	391141
PubChem CID:	135003068
Reduced:	NO7C41H49 (1)
Stoich.:	AB7C41D49 (1)
Weight, g/mol:	488.231122
ΔH_f, kcal/mol:	-212.52
Dipole, Da:	7.98
IP(EA), eV:	-8.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(E,2R,3R)-1-ethoxy-2-methyl-3-[(4-nitrophenyl)methyl]-5-phenylpent-4-enyl]carbamate

Drug info:

PubChemData

Smile

CCC(CC)([C@H](C1[C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NCC5=CC=C(C=C5)OC)C(=O)O

DOS

IR

Vibrations