Geometry & MOs

Info

ID:	236861
PubChem CID:	92715126
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	482.217404
ΔH_f, kcal/mol:	-139.61
Dipole, Da:	6.13
IP(EA), eV:	-8.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations