Geometry & MOs

Info

ID:	43974
PubChem CID:	10322628
Reduced:	SN5O5C22H27 (1)
Stoich.:	AB5C5D22E27 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-103.7
Dipole, Da:	4.64
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3CCN(CC3)S(=O)(=O)CC(C4=CN=CN4)N(C=O)O

DOS

IR

Vibrations