Geometry & MOs

Info

ID:	78436
PubChem CID:	49689632
Reduced:	SN4O5C20H26 (1)
Stoich.:	AB4C5D20E26 (1)
Weight, g/mol:	435.07937
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	4.91
IP(EA), eV:	-9.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methoxy-N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations