Geometry & MOs

Info

ID:	163414
PubChem CID:	57938137
Reduced:	O4C29H52 (1)
Stoich.:	A4B29C52 (1)
Weight, g/mol:	464.212278
ΔH_f, kcal/mol:	-265.19
Dipole, Da:	4.56
IP(EA), eV:	-9.55(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-(4-carbamoyl-3-hydroxyphenoxy)-3,5-difluorophenyl]methyl]-N-(3-methylbutyl)carbamate

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC(OC1=O)C2CCC(CC2)COC3CCC(CC3)CCOC

DOS

IR

Vibrations