Geometry & MOs

Info

ID:	135245
PubChem CID:	51839063
Reduced:	N2O5C31H38 (1)
Stoich.:	A2B5C31D38 (1)
Weight, g/mol:	490.246772
ΔH_f, kcal/mol:	-172.72
Dipole, Da:	4.38
IP(EA), eV:	-8.57(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-[(5-methylfuran-2-yl)methyl]amino]-N-butyl-2-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@H](C2=CC(=C(C=C2)O)OC)C(=O)NC3CCCCC3)C(=O)C[C@H](C)C4=CC=CC=C4

DOS

IR

Vibrations