Geometry & MOs

Info

ID:

414810

PubChem CID:

135087773

Reduced:

S2N7O7C35H51 (1)

Stoich.:

A2B7C7D35E51 (1)

Weight, g/mol:

400.14905

ΔHf, kcal/mol:

-287.26

Dipole, Da:

9.56

IP(EA), eV:

 -8.67(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)CCOC)CC3=CC=CC=C3)CCSC

DOS

IR

Vibrations