Geometry & MOs

Info

ID:

161473

PubChem CID:

57391761

Reduced:

SN2O4C15H18 (2)

Stoich.:

AB2C4D15E18 (2)

Weight, g/mol:

491.214424

ΔHf, kcal/mol:

-286.86

Dipole, Da:

2.48

IP(EA), eV:

 -8.8(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(3R)-1-(4-hydroxy-4-pyrazin-2-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCSC)NCC(=O)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3NC(=O)CN[C@@H](CCSC)C(=O)OC

DOS

IR

Vibrations