Geometry & MOs

Info

ID:	155666
PubChem CID:	56366777
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	429.219846
ΔH_f, kcal/mol:	-202.52
Dipole, Da:	2.25
IP(EA), eV:	-9.08(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations