Geometry & MOs

Info

ID:	134728
PubChem CID:	51746470
Reduced:	N2O3C30H32 (1)
Stoich.:	A2B3C30D32 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	7.61
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C#CC4=CC=CC=C4)C

DOS

IR

Vibrations