Geometry & MOs

Info

ID:	157642
PubChem CID:	56436240
Reduced:	F3O3N4C24H29 (1)
Stoich.:	A3B3C4D24E29 (1)
Weight, g/mol:	442.177372
ΔH_f, kcal/mol:	-260.0
Dipole, Da:	9.0
IP(EA), eV:	-9.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[ethyl-[4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CCNC(=O)C2CC3CCCCC3N2C(=O)C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations