Geometry & MOs

Info

ID:	443073
PubChem CID:	135257602
Reduced:	SN2O4F5H27C29 (1)
Stoich.:	AB2C4D5E27F29 (1)
Weight, g/mol:	362.144199
ΔH_f, kcal/mol:	-327.1
Dipole, Da:	3.95
IP(EA), eV:	-9.36(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations