Geometry & MOs

Info

ID:	137679
PubChem CID:	52243904
Reduced:	F2N2O3C17H26 (1)
Stoich.:	A2B2C3D17E26 (1)
Weight, g/mol:	471.252192
ΔH_f, kcal/mol:	-230.72
Dipole, Da:	2.73
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1S)-1-(3-benzamidophenyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CN(C)CC1=CC(=C(C=C1)OC(F)F)OCC

DOS

IR

Vibrations