Geometry & MOs

Info

ID:	186983
PubChem CID:	77511324
Reduced:	N5O8C29H49 (1)
Stoich.:	A5B8C29D49 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	-366.69
Dipole, Da:	5.99
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-4-(propan-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(C(NN1)OC2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)CCCC(=O)NCCCCC(C(=O)N)N

DOS

IR

Vibrations