Geometry & MOs

Info

ID:	341887
PubChem CID:	127264580
Reduced:	NO8C14H23 (1)
Stoich.:	AB8C14D23 (1)
Weight, g/mol:	440.169585
ΔH_f, kcal/mol:	-355.55
Dipole, Da:	1.65
IP(EA), eV:	-9.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-(4-nitrophenyl)pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC2(C1)O[C@H]3[C@@H](C[C@@H]([C@H]3O2)OCCO)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations