Geometry & MOs

Info

ID:	380522
PubChem CID:	134971002
Reduced:	NO6C23H31 (1)
Stoich.:	AB6C23D31 (1)
Weight, g/mol:	457.246438
ΔH_f, kcal/mol:	-240.57
Dipole, Da:	5.59
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-4-hydroxy-2-(2,2,5-trimethyl-1,3-dioxolan-4-yl)butan-2-yl]-N-[(4-methoxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]([C@](C)(CCO)N(CC1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)O)O

DOS

IR

Vibrations