Geometry & MOs

Info

ID:

421895

PubChem CID:

135116789

Reduced:

SN7O7C37H47 (1)

Stoich.:

AB7C7D37E47 (1)

Weight, g/mol:

357.168856

ΔHf, kcal/mol:

-231.62

Dipole, Da:

8.4

IP(EA), eV:

 -8.8(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-(1,5-dimethylpyrazole-3-carbonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)OC)C)C)C)C(C)C

DOS

IR

Vibrations