Geometry & MOs

Info

ID:

415620

PubChem CID:

135088619

Reduced:

S2N7O7C34H49 (1)

Stoich.:

A2B7C7D34E49 (1)

Weight, g/mol:

379.031493

ΔHf, kcal/mol:

-290.5

Dipole, Da:

5.83

IP(EA), eV:

 -8.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

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)[C@@H](C)O)CC3=CC=CC=C3)CCSC

DOS

IR

Vibrations