Geometry & MOs

Info

ID:	135148
PubChem CID:	51824738
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	426.288243
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	2.0
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-(4-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C(=O)NC2CCCCC2)N(C(=O)C3=CC=CO3)C(C)(C)C

DOS

IR

Vibrations