Geometry & MOs

Info

ID:

229113

PubChem CID:

87566980

Reduced:

F4N9O11C87H115 (1)

Stoich.:

A4B9C11D87E115 (1)

Weight, g/mol:

388.236208

ΔHf, kcal/mol:

-649.91

Dipole, Da:

9.34

IP(EA), eV:

 -8.83(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(E)-prop-1-enyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C2=C(C=CC=C2F)C(CCCN(C(=O)O)C(CCCC(C3CCCN(C3)C(=O)CCCNC)(C4=C(C(=CC=C4)F)C5=CC=CC(=C5)C)O)(C(CCCC(C6CCCN(C6)C(=O)CCCNC)(C7=C(C(=CC=C7)F)C8=C(C=CC(=C8)C)F)O)C(=O)N)C(=O)N)(C9CCCN(C9)C(=O)CCC(CO)N)O

DOS

IR

Vibrations