Geometry & MOs

Info

ID:	131606
PubChem CID:	51234440
Reduced:	OSF2N5H15C16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	7.58
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SC(C)C(=O)NC3=C(C=CC(=C3)F)F)C

DOS

IR

Vibrations