Geometry & MOs

Info

ID:	168305
PubChem CID:	74949013
Reduced:	INSO2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	507.259403
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	3.91
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[benzyl(methyl)amino]methyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NC1CCCC1CC2=CC=C(C=C2)I

DOS

IR

Vibrations