Geometry & MOs

Info

ID:	141527
PubChem CID:	52889154
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	13.88
Dipole, Da:	1.62
IP(EA), eV:	-8.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

DOS

IR

Vibrations