Geometry & MOs

Info

ID:

188580

PubChem CID:

77737514

Reduced:

SF2N5O7C28H29 (1)

Stoich.:

AB2C5D7E28F29 (1)

Weight, g/mol:

441.295119

ΔHf, kcal/mol:

-288.06

Dipole, Da:

15.47

IP(EA), eV:

 -9.09(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]-1-oxo-1-pyrrolidin-1-ylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)F

DOS

IR

Vibrations