Geometry & MOs

Info

ID:

296782

PubChem CID:

117592514

Reduced:

N2O34C85H132 (1)

Stoich.:

A2B34C85D132 (1)

Weight, g/mol:

383.130363

ΔHf, kcal/mol:

-1511.15

Dipole, Da:

1.2

IP(EA), eV:

 -8.68(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hydroxyurea;O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate

Drug info:

PubChemData

Smile

CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C.CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CC(C6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)O)O)OC1C(C(C(CO1)O)O)O

DOS

IR

Vibrations