Geometry & MOs

Info

ID:	320305
PubChem CID:	126659420
Reduced:	ClN2O2F3C27H32 (1)
Stoich.:	AB2C2D3E27F32 (1)
Weight, g/mol:	475.12196
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	3.31
IP(EA), eV:	-9.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2-hydroxyethyl)-N-[2-[4-(iodomethyl)benzoyl]pentyl]carbamate

Drug info:

PubChemData

Smile

CC(=NCCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)C3=CC(=C(C=C3)CNCCC(=O)O)Cl

DOS

IR

Vibrations