Geometry & MOs

Info

ID:	242947
PubChem CID:	99214426
Reduced:	BrSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	2.15
IP(EA), eV:	-9.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-methylphenyl)-5-propan-2-yltriazole-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)Br)C(=O)N2CCC(CC2)NC(=O)C3=CSC=C3

DOS

IR

Vibrations