Geometry & MOs

Info

ID:	135480
PubChem CID:	51878595
Reduced:	FSO2N4C25H29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	2.53
IP(EA), eV:	-8.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C[C@@H]3CCCO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations